10-N,27-N-bis[4-(4-tert-butylphenyl)phenyl]-10-N,27-N-dinaphthalen-2-yl-7-oxa-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19,21,23(30),24(29),25,27-tetradecaene-10,27-diamine

C80H61N3O — CID 164840237

IUPAC10-N,27-N-bis[4-(4-tert-butylphenyl)phenyl]-10-N,27-N-dinaphthalen-2-yl-7-oxa-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19,21,23(30),24(29),25,27-tetradecaene-10,27-diamine
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)oc3ccc5c(ccc6c7cccc8c9ccc(N(c%10ccc(-c%11ccc(C(C)(C)C)cc%11)cc%10)c%10ccc%11ccccc%11c%10)cc9n(c56)c87)c34)cc2)cc1
InChIInChI=1S/C80H61N3O/c1-79(2,3)58-28-18-52(19-29-58)54-22-32-60(33-23-54)81(62-36-26-50-12-7-9-14-56(50)46-62)64-38-40-66-68-16-11-17-69-71-43-42-67-70(78(71)83(77(68)69)73(66)48-64)44-45-74-76(67)72-41-39-65(49-75(72)84-74)82(63-37-27-51-13-8-10-15-57(51)47-63)61-34-24-55(25-35-61)53-20-30-59(31-21-53)80(4,5)6/h7-49H,1-6H3
InChIKeyGDQKCHWOSCXLMI-UHFFFAOYSA-N
MW1080.39 g/mol
LogP23.06
Rot. Bonds8

About 10-N,27-N-bis[4-(4-tert-butylphenyl)phenyl]-10-N,27-N-dinaphthalen-2-yl-7-oxa-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19,21,23(30),24(29),25,27-tetradecaene-10,27-diamine

10-N,27-N-bis[4-(4-tert-butylphenyl)phenyl]-10-N,27-N-dinaphthalen-2-yl-7-oxa-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19,21,23(30),24(29),25,27-tetradecaene-10,27-diamine (PubChem CID 164840237) has the molecular formula C80H61N3O and a molecular weight of 1080.39 g/mol. Its IUPAC name is 10-N,27-N-bis[4-(4-tert-butylphenyl)phenyl]-10-N,27-N-dinaphthalen-2-yl-7-oxa-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19,21,23(30),24(29),25,27-tetradecaene-10,27-diamine.

Molecular Properties

Compound Name10-N,27-N-bis[4-(4-tert-butylphenyl)phenyl]-10-N,27-N-dinaphthalen-2-yl-7-oxa-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19,21,23(30),24(29),25,27-tetradecaene-10,27-diamine
PubChem CID164840237
Molecular FormulaC80H61N3O
Molecular Weight1080.39 g/mol
Exact Mass1079.48
IUPAC Name10-N,27-N-bis[4-(4-tert-butylphenyl)phenyl]-10-N,27-N-dinaphthalen-2-yl-7-oxa-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19,21,23(30),24(29),25,27-tetradecaene-10,27-diamine
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)oc3ccc5c(ccc6c7cccc8c9ccc(N(c%10ccc(-c%11ccc(C(C)(C)C)cc%11)cc%10)c%10ccc%11ccccc%11c%10)cc9n(c56)c87)c34)cc2)cc1
InChIInChI=1S/C80H61N3O/c1-79(2,3)58-28-18-52(19-29-58)54-22-32-60(33-23-54)81(62-36-26-50-12-7-9-14-56(50)46-62)64-38-40-66-68-16-11-17-69-71-43-42-67-70(78(71)83(77(68)69)73(66)48-64)44-45-74-76(67)72-41-39-65(49-75(72)84-74)82(63-37-27-51-13-8-10-15-57(51)47-63)61-34-24-55(25-35-61)53-20-30-59(31-21-53)80(4,5)6/h7-49H,1-6H3
InChIKeyGDQKCHWOSCXLMI-UHFFFAOYSA-N
XLogP23.06
TPSA24.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001080.39
LogP ≤ 523.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-N,27-N-bis[4-(4-tert-butylphenyl)phenyl]-10-N,27-N-dinaphthalen-2-yl-7-oxa-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19,21,23(30),24(29),25,27-tetradecaene-10,27-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-N,22-N-bis(4-tert-butylphenyl)-10-N,22-N-bis(4-phenylphenyl)-13-oxa-19-azaoctacyclo[17.10.1.02,18.04,16.06,14.07,12.020,25.026,30]triaconta-1(29),2(18),3,5,7(12),8,10,14,16,20(25),21,23,26(30),27-tetradecaene-10,22-diamine
CID 164840282
28-tert-butyl-9-N,22-N-dinaphthalen-2-yl-9-N,22-N-bis(2,3,4,5,6-pentadeuteriophenyl)-12-oxa-19-azaoctacyclo[17.10.1.02,18.04,16.05,13.06,11.020,25.026,30]triaconta-1(29),2(18),3,5(13),6(11),7,9,14,16,20(25),21,23,26(30),27-tetradecaene-9,22-diamine
CID 164840198
8-N,8-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
CID 138745109
6,22-bis(4-tert-butylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene;6,22-di(carbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene;6,22-di(dibenzofuran-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene;6,22-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene;6-N,6-N,22-N,22-N-tetraphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine
CID 159039634
N,N-bis[4-(4-tert-butylphenyl)phenyl]phenanthren-2-amine;N,N-bis(4-phenylphenyl)phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 164956359
7-N,19-N-bis(4-tert-butylphenyl)-7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 146666105
N-(4-tert-butylphenyl)-N-(4-dibenzofuran-2-ylphenyl)phenanthren-2-amine
CID 121327873
14-tert-butyl-6,22-bis(4-tert-butylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-tert-butyl-6,22-di(dibenzofuran-2-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-tert-butyl-6,22-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;6-N,22-N-di(dibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,6-N,22-N,22-N-tetrakis(4-tert-butylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine
CID 159265747
3-N,7-N-dinaphthalen-2-yl-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 177117023
N-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176795770
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]-N-dibenzofuran-2-yldibenzofuran-3-amine
CID 118179965
14-dibenzofuran-2-yl-6-N,22-N-di(dibenzofuran-4-yl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,6-N,22-N,22-N-tetrakis(4-tert-butylphenyl)-14-dibenzofuran-2-yl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine
CID 158754876

Frequently Asked Questions

What is the IUPAC name of 10-N,27-N-bis[4-(4-tert-butylphenyl)phenyl]-10-N,27-N-dinaphthalen-2-yl-7-oxa-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19,21,23(30),24(29),25,27-tetradecaene-10,27-diamine?
The IUPAC name of 10-N,27-N-bis[4-(4-tert-butylphenyl)phenyl]-10-N,27-N-dinaphthalen-2-yl-7-oxa-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19,21,23(30),24(29),25,27-tetradecaene-10,27-diamine (CID 164840237) is 10-N,27-N-bis[4-(4-tert-butylphenyl)phenyl]-10-N,27-N-dinaphthalen-2-yl-7-oxa-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19,21,23(30),24(29),25,27-tetradecaene-10,27-diamine.
What is the SMILES notation for 10-N,27-N-bis[4-(4-tert-butylphenyl)phenyl]-10-N,27-N-dinaphthalen-2-yl-7-oxa-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19,21,23(30),24(29),25,27-tetradecaene-10,27-diamine?
The canonical SMILES for 10-N,27-N-bis[4-(4-tert-butylphenyl)phenyl]-10-N,27-N-dinaphthalen-2-yl-7-oxa-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19,21,23(30),24(29),25,27-tetradecaene-10,27-diamine is CC(C)(C)c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4c(c3)oc3ccc5c(ccc6c7cccc8c9ccc(N(c%10ccc(-c%11ccc(C(C)(C)C)cc%11)cc%10)c%10ccc%11ccccc%11c%10)cc9n(c56)c87)c34)cc2)cc1.
What is the InChIKey of 10-N,27-N-bis[4-(4-tert-butylphenyl)phenyl]-10-N,27-N-dinaphthalen-2-yl-7-oxa-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19,21,23(30),24(29),25,27-tetradecaene-10,27-diamine?
The InChIKey is GDQKCHWOSCXLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H61N3O/c1-79(2,3)58-28-18-52(19-29-58)54-22-32-60(33-23-54)81(62-36-26-50-12-7-9-14-56(50)46-62)64-38-40-66-68-16-11-17-69-71-43-42-67-70(78(71)83(77(68)69)73(66)48-64)44-45-74-76(67)72-41-39-65(49-75(72)84-74)82(63-37-27-51-13-8-10-15-57(51)47-63)61-34-24-55(25-35-61)53-20-30-59(31-21-53)80(4,5)6/h7-49H,1-6H3.
What are the key properties of 10-N,27-N-bis[4-(4-tert-butylphenyl)phenyl]-10-N,27-N-dinaphthalen-2-yl-7-oxa-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19,21,23(30),24(29),25,27-tetradecaene-10,27-diamine?
10-N,27-N-bis[4-(4-tert-butylphenyl)phenyl]-10-N,27-N-dinaphthalen-2-yl-7-oxa-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19,21,23(30),24(29),25,27-tetradecaene-10,27-diamine has a molecular weight of 1080.39 g/mol, XLogP of 23.06, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-N,27-N-bis[4-(4-tert-butylphenyl)phenyl]-10-N,27-N-dinaphthalen-2-yl-7-oxa-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19,21,23(30),24(29),25,27-tetradecaene-10,27-diamine is sourced from PubChem (CID 164840237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).