N-[4-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,19-dimethyl-16-azanonacyclo[18.16.0.02,18.03,8.09,17.010,15.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5,7,9(17),10(15),11,13,21,23,25,27,29,31,33,35-heptadecaen-12-yl]phenyl]-2,5-diphenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[16-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-19-oxa-16-azanonacyclo[18.16.0.02,18.03,8.09,17.010,15.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5,7,9(17),10(15),11,13,21,23,25,27,29,31,33,35-heptadecaen-12-yl]phenyl]phenanthren-2-amine;N-phenyl-N-pyren-4-yl-29-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-32-thia-29-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.022,30.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(30),23(28),24,26-pentadecaen-26-amine

C227H140N18OS — CID 157071370

IUPACN-[4-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,19-dimethyl-16-azanonacyclo[18.16.0.02,18.03,8.09,17.010,15.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5,7,9(17),10(15),11,13,21,23,25,27,29,31,33,35-heptadecaen-12-yl]phenyl]-2,5-diphenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[16-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-19-oxa-16-azanonacyclo[18.16.0.02,18.03,8.09,17.010,15.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5,7,9(17),10(15),11,13,21,23,25,27,29,31,33,35-heptadecaen-12-yl]phenyl]phenanthren-2-amine;N-phenyl-N-pyren-4-yl-29-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-32-thia-29-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.022,30.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(30),23(28),24,26-pentadecaen-26-amine
SMILESCC1(C)c2cc3c4ccccc4c4ccccc4c3cc2-c2c1c1c(c3ccccc23)c2cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cc(-c5ccccc5)ccc4-c4ccccc4)cc3)ccc2n1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccncc3)nc(-n3c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(ccc8ccccc87)c6)cc5)cc4c4c5ccccc5c5c6cc7c8ccccc8c8ccccc8c7cc6oc5c43)n2)cc1.c1ccc(N(c2ccc3c4ccc5c6cc7c8ccccc8c8ccccc8c7cc6sc5c4n(-c4nc(-c5ccncc5)nc(-c5cccnc5)n4)c3c2)c2cc3cccc4ccc5cccc2c5c43)cc1
InChIInChI=1S/C88H59N5.C74H44N6O.C65H37N7S/c1-88(2)78-55-75-71-37-21-19-35-69(71)68-34-18-20-36-70(68)74(75)54-76(78)81-72-38-22-23-39-73(72)82-77-52-63(45-51-79(77)93(84(82)83(81)88)87-90-85(61-30-14-6-15-31-61)89-86(91-87)62-32-16-7-17-33-62)59-42-48-66(49-43-59)92(65-46-40-58(41-47-65)56-24-8-3-9-25-56)80-53-64(57-26-10-4-11-27-57)44-50-67(80)60-28-12-5-13-29-60;1-3-16-47(17-4-1)72-76-73(48-37-39-75-40-38-48)78-74(77-72)80-66-36-31-49(45-29-32-52(33-30-45)79(51-18-5-2-6-19-51)53-34-35-55-50(41-53)28-27-46-15-7-8-20-54(46)55)42-64(66)68-60-25-13-14-26-61(60)69-65-43-62-58-23-11-9-21-56(58)57-22-10-12-24-59(57)63(62)44-67(65)81-71(69)70(68)80;1-2-15-43(16-3-1)71(56-33-41-13-8-11-38-22-23-39-12-9-21-52(56)60(39)59(38)41)44-24-25-49-50-26-27-51-55-35-53-47-19-6-4-17-45(47)46-18-5-7-20-48(46)54(53)36-58(55)73-62(51)61(50)72(57(49)34-44)65-69-63(40-28-31-66-32-29-40)68-64(70-65)42-14-10-30-67-37-42/h3-55H,1-2H3;1-44H;1-37H
InChIKeyACLXQZRCRMKJEW-UHFFFAOYSA-N
MW3167.81 g/mol
LogP60.30
Rot. Bonds23

About N-[4-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,19-dimethyl-16-azanonacyclo[18.16.0.02,18.03,8.09,17.010,15.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5,7,9(17),10(15),11,13,21,23,25,27,29,31,33,35-heptadecaen-12-yl]phenyl]-2,5-diphenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[16-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-19-oxa-16-azanonacyclo[18.16.0.02,18.03,8.09,17.010,15.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5,7,9(17),10(15),11,13,21,23,25,27,29,31,33,35-heptadecaen-12-yl]phenyl]phenanthren-2-amine;N-phenyl-N-pyren-4-yl-29-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-32-thia-29-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.022,30.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(30),23(28),24,26-pentadecaen-26-amine

N-[4-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,19-dimethyl-16-azanonacyclo[18.16.0.02,18.03,8.09,17.010,15.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5,7,9(17),10(15),11,13,21,23,25,27,29,31,33,35-heptadecaen-12-yl]phenyl]-2,5-diphenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[16-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-19-oxa-16-azanonacyclo[18.16.0.02,18.03,8.09,17.010,15.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5,7,9(17),10(15),11,13,21,23,25,27,29,31,33,35-heptadecaen-12-yl]phenyl]phenanthren-2-amine;N-phenyl-N-pyren-4-yl-29-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-32-thia-29-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.022,30.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(30),23(28),24,26-pentadecaen-26-amine (PubChem CID 157071370) has the molecular formula C227H140N18OS and a molecular weight of 3167.81 g/mol. Its IUPAC name is N-[4-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,19-dimethyl-16-azanonacyclo[18.16.0.02,18.03,8.09,17.010,15.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5,7,9(17),10(15),11,13,21,23,25,27,29,31,33,35-heptadecaen-12-yl]phenyl]-2,5-diphenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[16-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-19-oxa-16-azanonacyclo[18.16.0.02,18.03,8.09,17.010,15.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5,7,9(17),10(15),11,13,21,23,25,27,29,31,33,35-heptadecaen-12-yl]phenyl]phenanthren-2-amine;N-phenyl-N-pyren-4-yl-29-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-32-thia-29-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.022,30.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(30),23(28),24,26-pentadecaen-26-amine.

Molecular Properties

Compound NameN-[4-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,19-dimethyl-16-azanonacyclo[18.16.0.02,18.03,8.09,17.010,15.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5,7,9(17),10(15),11,13,21,23,25,27,29,31,33,35-heptadecaen-12-yl]phenyl]-2,5-diphenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[16-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-19-oxa-16-azanonacyclo[18.16.0.02,18.03,8.09,17.010,15.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5,7,9(17),10(15),11,13,21,23,25,27,29,31,33,35-heptadecaen-12-yl]phenyl]phenanthren-2-amine;N-phenyl-N-pyren-4-yl-29-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-32-thia-29-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.022,30.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(30),23(28),24,26-pentadecaen-26-amine
PubChem CID157071370
Molecular FormulaC227H140N18OS
Molecular Weight3167.81 g/mol
Exact Mass3165.12
IUPAC NameN-[4-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,19-dimethyl-16-azanonacyclo[18.16.0.02,18.03,8.09,17.010,15.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5,7,9(17),10(15),11,13,21,23,25,27,29,31,33,35-heptadecaen-12-yl]phenyl]-2,5-diphenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[16-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-19-oxa-16-azanonacyclo[18.16.0.02,18.03,8.09,17.010,15.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5,7,9(17),10(15),11,13,21,23,25,27,29,31,33,35-heptadecaen-12-yl]phenyl]phenanthren-2-amine;N-phenyl-N-pyren-4-yl-29-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-32-thia-29-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.022,30.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(30),23(28),24,26-pentadecaen-26-amine
SMILESCC1(C)c2cc3c4ccccc4c4ccccc4c3cc2-c2c1c1c(c3ccccc23)c2cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cc(-c5ccccc5)ccc4-c4ccccc4)cc3)ccc2n1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccncc3)nc(-n3c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(ccc8ccccc87)c6)cc5)cc4c4c5ccccc5c5c6cc7c8ccccc8c8ccccc8c7cc6oc5c43)n2)cc1.c1ccc(N(c2ccc3c4ccc5c6cc7c8ccccc8c8ccccc8c7cc6sc5c4n(-c4nc(-c5ccncc5)nc(-c5cccnc5)n4)c3c2)c2cc3cccc4ccc5cccc2c5c43)cc1
InChIInChI=1S/C88H59N5.C74H44N6O.C65H37N7S/c1-88(2)78-55-75-71-37-21-19-35-69(71)68-34-18-20-36-70(68)74(75)54-76(78)81-72-38-22-23-39-73(72)82-77-52-63(45-51-79(77)93(84(82)83(81)88)87-90-85(61-30-14-6-15-31-61)89-86(91-87)62-32-16-7-17-33-62)59-42-48-66(49-43-59)92(65-46-40-58(41-47-65)56-24-8-3-9-25-56)80-53-64(57-26-10-4-11-27-57)44-50-67(80)60-28-12-5-13-29-60;1-3-16-47(17-4-1)72-76-73(48-37-39-75-40-38-48)78-74(77-72)80-66-36-31-49(45-29-32-52(33-30-45)79(51-18-5-2-6-19-51)53-34-35-55-50(41-53)28-27-46-15-7-8-20-54(46)55)42-64(66)68-60-25-13-14-26-61(60)69-65-43-62-58-23-11-9-21-56(58)57-22-10-12-24-59(57)63(62)44-67(65)81-71(69)70(68)80;1-2-15-43(16-3-1)71(56-33-41-13-8-11-38-22-23-39-12-9-21-52(56)60(39)59(38)41)44-24-25-49-50-26-27-51-55-35-53-47-19-6-4-17-45(47)46-18-5-7-20-48(46)54(53)36-58(55)73-62(51)61(50)72(57(49)34-44)65-69-63(40-28-31-66-32-29-40)68-64(70-65)42-14-10-30-67-37-42/h3-55H,1-2H3;1-44H;1-37H
InChIKeyACLXQZRCRMKJEW-UHFFFAOYSA-N
XLogP60.30
TPSA192.33 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms247
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003167.81
LogP ≤ 560.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-[4-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,19-dimethyl-16-azanonacyclo[18.16.0.02,18.03,8.09,17.010,15.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5,7,9(17),10(15),11,13,21,23,25,27,29,31,33,35-heptadecaen-12-yl]phenyl]-2,5-diphenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[16-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-19-oxa-16-azanonacyclo[18.16.0.02,18.03,8.09,17.010,15.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5,7,9(17),10(15),11,13,21,23,25,27,29,31,33,35-heptadecaen-12-yl]phenyl]phenanthren-2-amine;N-phenyl-N-pyren-4-yl-29-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-32-thia-29-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.022,30.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(30),23(28),24,26-pentadecaen-26-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,19-dimethyl-16-azanonacyclo[18.16.0.02,18.03,8.09,17.010,15.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5,7,9(17),10(15),11,13,21,23,25,27,29,31,33,35-heptadecaen-12-yl]phenyl]-2,5-diphenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[16-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-19-oxa-16-azanonacyclo[18.16.0.02,18.03,8.09,17.010,15.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5,7,9(17),10(15),11,13,21,23,25,27,29,31,33,35-heptadecaen-12-yl]phenyl]phenanthren-2-amine;N-phenyl-N-pyren-4-yl-29-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-32-thia-29-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.022,30.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(30),23(28),24,26-pentadecaen-26-amine?
The IUPAC name of N-[4-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,19-dimethyl-16-azanonacyclo[18.16.0.02,18.03,8.09,17.010,15.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5,7,9(17),10(15),11,13,21,23,25,27,29,31,33,35-heptadecaen-12-yl]phenyl]-2,5-diphenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[16-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-19-oxa-16-azanonacyclo[18.16.0.02,18.03,8.09,17.010,15.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5,7,9(17),10(15),11,13,21,23,25,27,29,31,33,35-heptadecaen-12-yl]phenyl]phenanthren-2-amine;N-phenyl-N-pyren-4-yl-29-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-32-thia-29-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.022,30.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(30),23(28),24,26-pentadecaen-26-amine (CID 157071370) is N-[4-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,19-dimethyl-16-azanonacyclo[18.16.0.02,18.03,8.09,17.010,15.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5,7,9(17),10(15),11,13,21,23,25,27,29,31,33,35-heptadecaen-12-yl]phenyl]-2,5-diphenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[16-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-19-oxa-16-azanonacyclo[18.16.0.02,18.03,8.09,17.010,15.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5,7,9(17),10(15),11,13,21,23,25,27,29,31,33,35-heptadecaen-12-yl]phenyl]phenanthren-2-amine;N-phenyl-N-pyren-4-yl-29-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-32-thia-29-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.022,30.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(30),23(28),24,26-pentadecaen-26-amine.
What is the SMILES notation for N-[4-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,19-dimethyl-16-azanonacyclo[18.16.0.02,18.03,8.09,17.010,15.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5,7,9(17),10(15),11,13,21,23,25,27,29,31,33,35-heptadecaen-12-yl]phenyl]-2,5-diphenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[16-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-19-oxa-16-azanonacyclo[18.16.0.02,18.03,8.09,17.010,15.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5,7,9(17),10(15),11,13,21,23,25,27,29,31,33,35-heptadecaen-12-yl]phenyl]phenanthren-2-amine;N-phenyl-N-pyren-4-yl-29-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-32-thia-29-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.022,30.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(30),23(28),24,26-pentadecaen-26-amine?
The canonical SMILES for N-[4-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,19-dimethyl-16-azanonacyclo[18.16.0.02,18.03,8.09,17.010,15.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5,7,9(17),10(15),11,13,21,23,25,27,29,31,33,35-heptadecaen-12-yl]phenyl]-2,5-diphenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[16-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-19-oxa-16-azanonacyclo[18.16.0.02,18.03,8.09,17.010,15.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5,7,9(17),10(15),11,13,21,23,25,27,29,31,33,35-heptadecaen-12-yl]phenyl]phenanthren-2-amine;N-phenyl-N-pyren-4-yl-29-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-32-thia-29-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.022,30.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(30),23(28),24,26-pentadecaen-26-amine is CC1(C)c2cc3c4ccccc4c4ccccc4c3cc2-c2c1c1c(c3ccccc23)c2cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cc(-c5ccccc5)ccc4-c4ccccc4)cc3)ccc2n1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccncc3)nc(-n3c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(ccc8ccccc87)c6)cc5)cc4c4c5ccccc5c5c6cc7c8ccccc8c8ccccc8c7cc6oc5c43)n2)cc1.c1ccc(N(c2ccc3c4ccc5c6cc7c8ccccc8c8ccccc8c7cc6sc5c4n(-c4nc(-c5ccncc5)nc(-c5cccnc5)n4)c3c2)c2cc3cccc4ccc5cccc2c5c43)cc1.
What is the InChIKey of N-[4-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,19-dimethyl-16-azanonacyclo[18.16.0.02,18.03,8.09,17.010,15.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5,7,9(17),10(15),11,13,21,23,25,27,29,31,33,35-heptadecaen-12-yl]phenyl]-2,5-diphenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[16-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-19-oxa-16-azanonacyclo[18.16.0.02,18.03,8.09,17.010,15.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5,7,9(17),10(15),11,13,21,23,25,27,29,31,33,35-heptadecaen-12-yl]phenyl]phenanthren-2-amine;N-phenyl-N-pyren-4-yl-29-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-32-thia-29-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.022,30.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(30),23(28),24,26-pentadecaen-26-amine?
The InChIKey is ACLXQZRCRMKJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H59N5.C74H44N6O.C65H37N7S/c1-88(2)78-55-75-71-37-21-19-35-69(71)68-34-18-20-36-70(68)74(75)54-76(78)81-72-38-22-23-39-73(72)82-77-52-63(45-51-79(77)93(84(82)83(81)88)87-90-85(61-30-14-6-15-31-61)89-86(91-87)62-32-16-7-17-33-62)59-42-48-66(49-43-59)92(65-46-40-58(41-47-65)56-24-8-3-9-25-56)80-53-64(57-26-10-4-11-27-57)44-50-67(80)60-28-12-5-13-29-60;1-3-16-47(17-4-1)72-76-73(48-37-39-75-40-38-48)78-74(77-72)80-66-36-31-49(45-29-32-52(33-30-45)79(51-18-5-2-6-19-51)53-34-35-55-50(41-53)28-27-46-15-7-8-20-54(46)55)42-64(66)68-60-25-13-14-26-61(60)69-65-43-62-58-23-11-9-21-56(58)57-22-10-12-24-59(57)63(62)44-67(65)81-71(69)70(68)80;1-2-15-43(16-3-1)71(56-33-41-13-8-11-38-22-23-39-12-9-21-52(56)60(39)59(38)41)44-24-25-49-50-26-27-51-55-35-53-47-19-6-4-17-45(47)46-18-5-7-20-48(46)54(53)36-58(55)73-62(51)61(50)72(57(49)34-44)65-69-63(40-28-31-66-32-29-40)68-64(70-65)42-14-10-30-67-37-42/h3-55H,1-2H3;1-44H;1-37H.
What are the key properties of N-[4-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,19-dimethyl-16-azanonacyclo[18.16.0.02,18.03,8.09,17.010,15.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5,7,9(17),10(15),11,13,21,23,25,27,29,31,33,35-heptadecaen-12-yl]phenyl]-2,5-diphenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[16-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-19-oxa-16-azanonacyclo[18.16.0.02,18.03,8.09,17.010,15.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5,7,9(17),10(15),11,13,21,23,25,27,29,31,33,35-heptadecaen-12-yl]phenyl]phenanthren-2-amine;N-phenyl-N-pyren-4-yl-29-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-32-thia-29-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.022,30.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(30),23(28),24,26-pentadecaen-26-amine?
N-[4-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,19-dimethyl-16-azanonacyclo[18.16.0.02,18.03,8.09,17.010,15.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5,7,9(17),10(15),11,13,21,23,25,27,29,31,33,35-heptadecaen-12-yl]phenyl]-2,5-diphenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[16-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-19-oxa-16-azanonacyclo[18.16.0.02,18.03,8.09,17.010,15.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5,7,9(17),10(15),11,13,21,23,25,27,29,31,33,35-heptadecaen-12-yl]phenyl]phenanthren-2-amine;N-phenyl-N-pyren-4-yl-29-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-32-thia-29-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.022,30.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(30),23(28),24,26-pentadecaen-26-amine has a molecular weight of 3167.81 g/mol, XLogP of 60.30, 23 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-19,19-dimethyl-16-azanonacyclo[18.16.0.02,18.03,8.09,17.010,15.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5,7,9(17),10(15),11,13,21,23,25,27,29,31,33,35-heptadecaen-12-yl]phenyl]-2,5-diphenyl-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[16-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-19-oxa-16-azanonacyclo[18.16.0.02,18.03,8.09,17.010,15.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5,7,9(17),10(15),11,13,21,23,25,27,29,31,33,35-heptadecaen-12-yl]phenyl]phenanthren-2-amine;N-phenyl-N-pyren-4-yl-29-(4-pyridin-3-yl-6-pyridin-4-yl-1,3,5-triazin-2-yl)-32-thia-29-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.022,30.023,28]dotriaconta-1(18),2,4,6,8,10,12,14,16,19(31),20,22(30),23(28),24,26-pentadecaen-26-amine is sourced from PubChem (CID 157071370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).