31-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-34-(3-methylcyclohexa-1,5-dien-1-yl)-3-phenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),26,28-tetradecaene

C84H57N11 — CID 170210118

IUPAC31-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-34-(3-methylcyclohexa-1,5-dien-1-yl)-3-phenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),26,28-tetradecaene
SMILESCC1C=C(n2c3c4c(ccc3c3ccc5c6ccc7c8ccccc8n(-c8cccc(-c9ccnc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9)c8)c7c6n(-c6ccccc6)c5c32)C2C=CC=CC2N4c2nc(-c3ccccc3)nc(-c3ccccc3)n2)C=CC1
InChIInChI=1S/C84H57N11/c1-52-23-21-35-60(49-52)94-76-68(69-44-42-65-63-38-18-20-40-72(63)95(78(65)77(69)94)84-90-81(55-28-11-4-12-29-55)87-82(91-84)56-30-13-5-14-31-56)46-45-67-66-43-41-64-62-37-17-19-39-71(62)92(73(64)74(66)93(75(67)76)59-33-15-6-16-34-59)61-36-22-32-57(50-61)58-47-48-85-70(51-58)83-88-79(53-24-7-2-8-25-53)86-80(89-83)54-26-9-3-10-27-54/h2-22,24-52,63,72H,23H2,1H3
InChIKeyFPEJDEFYLKWUSJ-UHFFFAOYSA-N
MW1220.46 g/mol
LogP19.92
Rot. Bonds10

About 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-34-(3-methylcyclohexa-1,5-dien-1-yl)-3-phenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),26,28-tetradecaene

31-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-34-(3-methylcyclohexa-1,5-dien-1-yl)-3-phenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),26,28-tetradecaene (PubChem CID 170210118) has the molecular formula C84H57N11 and a molecular weight of 1220.46 g/mol. Its IUPAC name is 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-34-(3-methylcyclohexa-1,5-dien-1-yl)-3-phenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),26,28-tetradecaene.

Molecular Properties

Compound Name31-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-34-(3-methylcyclohexa-1,5-dien-1-yl)-3-phenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),26,28-tetradecaene
PubChem CID170210118
Molecular FormulaC84H57N11
Molecular Weight1220.46 g/mol
Exact Mass1219.48
IUPAC Name31-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-34-(3-methylcyclohexa-1,5-dien-1-yl)-3-phenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),26,28-tetradecaene
SMILESCC1C=C(n2c3c4c(ccc3c3ccc5c6ccc7c8ccccc8n(-c8cccc(-c9ccnc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9)c8)c7c6n(-c6ccccc6)c5c32)C2C=CC=CC2N4c2nc(-c3ccccc3)nc(-c3ccccc3)n2)C=CC1
InChIInChI=1S/C84H57N11/c1-52-23-21-35-60(49-52)94-76-68(69-44-42-65-63-38-18-20-40-72(63)95(78(65)77(69)94)84-90-81(55-28-11-4-12-29-55)87-82(91-84)56-30-13-5-14-31-56)46-45-67-66-43-41-64-62-37-17-19-39-71(62)92(73(64)74(66)93(75(67)76)59-33-15-6-16-34-59)61-36-22-32-57(50-61)58-47-48-85-70(51-58)83-88-79(53-24-7-2-8-25-53)86-80(89-83)54-26-9-3-10-27-54/h2-22,24-52,63,72H,23H2,1H3
InChIKeyFPEJDEFYLKWUSJ-UHFFFAOYSA-N
XLogP19.92
TPSA108.26 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001220.46
LogP ≤ 519.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-34-(3-methylcyclohexa-1,5-dien-1-yl)-3-phenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),26,28-tetradecaene with MolForge

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Related Compounds

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11-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole
CID 167285574
11-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-4a,12a-dihydroindolo[2,3-a]carbazole
CID 123849393
9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole;11-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,12a-dihydroindolo[2,3-a]carbazole
CID 159421096
(4aR)-12-(3-phenylphenyl)-11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole
CID 170023088
11-(2-phenylphenyl)-12-[4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole
CID 170392649
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 166695966
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-20,20-dimethyl-1,4-diazaheptacyclo[13.11.1.02,14.03,11.05,10.019,27.021,26]heptacosa-2(14),3(11),6,8,12,15(27),16,18,21,23,25-undecaene
CID 71241834
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-(12-phenyl-4a,12c-dihydroindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-c]carbazole
CID 70912427
9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 146530782
11-phenyl-12-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169014169
12-[4,8-diphenyl-6-(5-phenyl-7b,11a-dihydroindolo[3,2-c]carbazol-12-yl)pyrimido[5,4-d]pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 88950411

Frequently Asked Questions

What is the IUPAC name of 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-34-(3-methylcyclohexa-1,5-dien-1-yl)-3-phenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),26,28-tetradecaene?
The IUPAC name of 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-34-(3-methylcyclohexa-1,5-dien-1-yl)-3-phenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),26,28-tetradecaene (CID 170210118) is 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-34-(3-methylcyclohexa-1,5-dien-1-yl)-3-phenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),26,28-tetradecaene.
What is the SMILES notation for 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-34-(3-methylcyclohexa-1,5-dien-1-yl)-3-phenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),26,28-tetradecaene?
The canonical SMILES for 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-34-(3-methylcyclohexa-1,5-dien-1-yl)-3-phenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),26,28-tetradecaene is CC1C=C(n2c3c4c(ccc3c3ccc5c6ccc7c8ccccc8n(-c8cccc(-c9ccnc(-c%10nc(-c%11ccccc%11)nc(-c%11ccccc%11)n%10)c9)c8)c7c6n(-c6ccccc6)c5c32)C2C=CC=CC2N4c2nc(-c3ccccc3)nc(-c3ccccc3)n2)C=CC1.
What is the InChIKey of 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-34-(3-methylcyclohexa-1,5-dien-1-yl)-3-phenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),26,28-tetradecaene?
The InChIKey is FPEJDEFYLKWUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H57N11/c1-52-23-21-35-60(49-52)94-76-68(69-44-42-65-63-38-18-20-40-72(63)95(78(65)77(69)94)84-90-81(55-28-11-4-12-29-55)87-82(91-84)56-30-13-5-14-31-56)46-45-67-66-43-41-64-62-37-17-19-39-71(62)92(73(64)74(66)93(75(67)76)59-33-15-6-16-34-59)61-36-22-32-57(50-61)58-47-48-85-70(51-58)83-88-79(53-24-7-2-8-25-53)86-80(89-83)54-26-9-3-10-27-54/h2-22,24-52,63,72H,23H2,1H3.
What are the key properties of 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-34-(3-methylcyclohexa-1,5-dien-1-yl)-3-phenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),26,28-tetradecaene?
31-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-34-(3-methylcyclohexa-1,5-dien-1-yl)-3-phenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),26,28-tetradecaene has a molecular weight of 1220.46 g/mol, XLogP of 19.92, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 31-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-34-(3-methylcyclohexa-1,5-dien-1-yl)-3-phenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),26,28-tetradecaene is sourced from PubChem (CID 170210118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).