10-methyl-15-(9-phenyl-3,4-dihydrocarbazol-3-yl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene

C32H23N5 — CID 139443714

IUPAC10-methyl-15-(9-phenyl-3,4-dihydrocarbazol-3-yl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
SMILESCc1ccc2c(n1)c1cc(C3C=Cc4c(c5ccccc5n4-c4ccccc4)C3)ccc1n1ncnc21
InChIInChI=1S/C32H23N5/c1-20-11-14-25-31(35-20)27-18-22(13-16-30(27)37-32(25)33-19-34-37)21-12-15-29-26(17-21)24-9-5-6-10-28(24)36(29)23-7-3-2-4-8-23/h2-16,18-19,21H,17H2,1H3
InChIKeyFPXRHDLZCZYLQU-UHFFFAOYSA-N
MW477.57 g/mol
LogP7.04
Rot. Bonds2

About 10-methyl-15-(9-phenyl-3,4-dihydrocarbazol-3-yl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene

10-methyl-15-(9-phenyl-3,4-dihydrocarbazol-3-yl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene (PubChem CID 139443714) has the molecular formula C32H23N5 and a molecular weight of 477.57 g/mol. Its IUPAC name is 10-methyl-15-(9-phenyl-3,4-dihydrocarbazol-3-yl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene.

Molecular Properties

Compound Name10-methyl-15-(9-phenyl-3,4-dihydrocarbazol-3-yl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
PubChem CID139443714
Molecular FormulaC32H23N5
Molecular Weight477.57 g/mol
Exact Mass477.20
IUPAC Name10-methyl-15-(9-phenyl-3,4-dihydrocarbazol-3-yl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
SMILESCc1ccc2c(n1)c1cc(C3C=Cc4c(c5ccccc5n4-c4ccccc4)C3)ccc1n1ncnc21
InChIInChI=1S/C32H23N5/c1-20-11-14-25-31(35-20)27-18-22(13-16-30(27)37-32(25)33-19-34-37)21-12-15-29-26(17-21)24-9-5-6-10-28(24)36(29)23-7-3-2-4-8-23/h2-16,18-19,21H,17H2,1H3
InChIKeyFPXRHDLZCZYLQU-UHFFFAOYSA-N
XLogP7.04
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.57
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 10-methyl-15-(9-phenyl-3,4-dihydrocarbazol-3-yl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene with MolForge

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Related Compounds

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N,N-diphenyl-4-[3-[9-(3-phenylphenyl)-3,4-dihydrocarbazol-3-yl]carbazol-9-yl]aniline
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9-benzyl-1-phenyl-6-(9-phenyl-3,4-dihydrocarbazol-3-yl)pyrido[3,4-b]indole
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3-[9-[3,5-bis(3-fluorophenyl)phenyl]-3,4-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 163674925
4-phenyl-2-[2-(9-phenyl-3,4-dihydrocarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[3,2-h]quinazoline
CID 145186637
5-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),6,11,13,15,17,19,21-decaene
CID 134301201
9-[3-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-3-phenyl-3,4-dihydrocarbazole
CID 145085569
4-[8-(9-phenyl-3,4-dihydrocarbazol-3-yl)dibenzothiophen-2-yl]benzonitrile
CID 135233863
9-phenyl-1-(9-phenyl-3,4-dihydrocarbazol-3-yl)carbazole
CID 118228720
9-[4-[3-(9-thiapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-yl)-3,4-dihydrocarbazol-9-yl]phenyl]carbazole
CID 129272471
3-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenyl-3,4-dihydrocarbazole
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Frequently Asked Questions

What is the IUPAC name of 10-methyl-15-(9-phenyl-3,4-dihydrocarbazol-3-yl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene?
The IUPAC name of 10-methyl-15-(9-phenyl-3,4-dihydrocarbazol-3-yl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene (CID 139443714) is 10-methyl-15-(9-phenyl-3,4-dihydrocarbazol-3-yl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene.
What is the SMILES notation for 10-methyl-15-(9-phenyl-3,4-dihydrocarbazol-3-yl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene?
The canonical SMILES for 10-methyl-15-(9-phenyl-3,4-dihydrocarbazol-3-yl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene is Cc1ccc2c(n1)c1cc(C3C=Cc4c(c5ccccc5n4-c4ccccc4)C3)ccc1n1ncnc21.
What is the InChIKey of 10-methyl-15-(9-phenyl-3,4-dihydrocarbazol-3-yl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene?
The InChIKey is FPXRHDLZCZYLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N5/c1-20-11-14-25-31(35-20)27-18-22(13-16-30(27)37-32(25)33-19-34-37)21-12-15-29-26(17-21)24-9-5-6-10-28(24)36(29)23-7-3-2-4-8-23/h2-16,18-19,21H,17H2,1H3.
What are the key properties of 10-methyl-15-(9-phenyl-3,4-dihydrocarbazol-3-yl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene?
10-methyl-15-(9-phenyl-3,4-dihydrocarbazol-3-yl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene has a molecular weight of 477.57 g/mol, XLogP of 7.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-15-(9-phenyl-3,4-dihydrocarbazol-3-yl)-2,3,5,11-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene is sourced from PubChem (CID 139443714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).