14,24-diphenyl-14,24-diazahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene

C36H24N2 — CID 118216147

IUPAC14,24-diphenyl-14,24-diazahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene
SMILESc1ccc(N2c3ccccc3-c3ccccc3-c3cc4c(cc32)c2ccccc2n4-c2ccccc2)cc1
InChIInChI=1S/C36H24N2/c1-3-13-25(14-4-1)37-33-21-11-9-19-29(33)27-17-7-8-18-28(27)31-23-36-32(24-35(31)37)30-20-10-12-22-34(30)38(36)26-15-5-2-6-16-26/h1-24H
InChIKeyXJSWHCXYOYYPBA-UHFFFAOYSA-N
MW484.60 g/mol
LogP9.90
Rot. Bonds2

About 14,24-diphenyl-14,24-diazahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene

14,24-diphenyl-14,24-diazahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene (PubChem CID 118216147) has the molecular formula C36H24N2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 14,24-diphenyl-14,24-diazahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene.

Molecular Properties

Compound Name14,24-diphenyl-14,24-diazahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene
PubChem CID118216147
Molecular FormulaC36H24N2
Molecular Weight484.60 g/mol
Exact Mass484.19
IUPAC Name14,24-diphenyl-14,24-diazahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene
SMILESc1ccc(N2c3ccccc3-c3ccccc3-c3cc4c(cc32)c2ccccc2n4-c2ccccc2)cc1
InChIInChI=1S/C36H24N2/c1-3-13-25(14-4-1)37-33-21-11-9-19-29(33)27-17-7-8-18-28(27)31-23-36-32(24-35(31)37)30-20-10-12-22-34(30)38(36)26-15-5-2-6-16-26/h1-24H
InChIKeyXJSWHCXYOYYPBA-UHFFFAOYSA-N
XLogP9.90
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 14,24-diphenyl-14,24-diazahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene with MolForge

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Related Compounds

18-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-14,18-diazahexacyclo[13.11.0.02,7.08,13.017,25.019,24]hexacosa-1(15),2,4,6,8,10,12,16,19,21,23,25-dodecaene
CID 118216134
5-phenyl-5,21-diazaoctacyclo[19.10.1.02,14.04,12.06,11.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,6,8,10,12,15,17,19,22,24,26,28(32),29-pentadecaene
CID 126699843
2-bromo-3-carbazol-9-yl-9-phenylcarbazole
CID 134598351
14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 59838794
5-phenyl-11-[2-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 164847594
2-(9-phenylcarbazol-2-yl)-9-[2-(2-phenylphenyl)phenyl]carbazole
CID 142315018
14-[4-(9-phenylcarbazol-3-yl)-2-pyridinyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 70808516
N-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-N,9-diphenylcarbazol-2-amine
CID 129133869
5-phenyl-11-[2-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 164847706
14-phenyl-25-pyrido[2,3-b]indol-9-yl-14,21-diazaheptacyclo[19.10.1.02,7.08,13.015,20.022,27.028,32]dotriaconta-1(31),2,4,6,8,10,12,15,17,19,22(27),23,25,28(32),29-pentadecaene
CID 177285265
9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 129092407
23-(9-phenylcarbazol-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
CID 145085317

Frequently Asked Questions

What is the IUPAC name of 14,24-diphenyl-14,24-diazahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene?
The IUPAC name of 14,24-diphenyl-14,24-diazahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene (CID 118216147) is 14,24-diphenyl-14,24-diazahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene.
What is the SMILES notation for 14,24-diphenyl-14,24-diazahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene?
The canonical SMILES for 14,24-diphenyl-14,24-diazahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene is c1ccc(N2c3ccccc3-c3ccccc3-c3cc4c(cc32)c2ccccc2n4-c2ccccc2)cc1.
What is the InChIKey of 14,24-diphenyl-14,24-diazahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene?
The InChIKey is XJSWHCXYOYYPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2/c1-3-13-25(14-4-1)37-33-21-11-9-19-29(33)27-17-7-8-18-28(27)31-23-36-32(24-35(31)37)30-20-10-12-22-34(30)38(36)26-15-5-2-6-16-26/h1-24H.
What are the key properties of 14,24-diphenyl-14,24-diazahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene?
14,24-diphenyl-14,24-diazahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene has a molecular weight of 484.60 g/mol, XLogP of 9.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14,24-diphenyl-14,24-diazahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene is sourced from PubChem (CID 118216147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).