8-(3-carbazol-9-ylphenyl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene

C39H25N3 — CID 126682860

IUPAC8-(3-carbazol-9-ylphenyl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
SMILESc1ccc(-c2cc3c4c(cccc4c2)N(c2cccc(-n4c5ccccc5c5ccccc54)c2)c2ncccc2-3)cc1
InChIInChI=1S/C39H25N3/c1-2-11-26(12-3-1)28-23-27-13-8-21-37-38(27)34(24-28)33-18-10-22-40-39(33)42(37)30-15-9-14-29(25-30)41-35-19-6-4-16-31(35)32-17-5-7-20-36(32)41/h1-25H
InChIKeyZUQJJVBMLDLOOC-UHFFFAOYSA-N
MW535.65 g/mol
LogP10.45
Rot. Bonds3

About 8-(3-carbazol-9-ylphenyl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene

8-(3-carbazol-9-ylphenyl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene (PubChem CID 126682860) has the molecular formula C39H25N3 and a molecular weight of 535.65 g/mol. Its IUPAC name is 8-(3-carbazol-9-ylphenyl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene.

Molecular Properties

Compound Name8-(3-carbazol-9-ylphenyl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
PubChem CID126682860
Molecular FormulaC39H25N3
Molecular Weight535.65 g/mol
Exact Mass535.20
IUPAC Name8-(3-carbazol-9-ylphenyl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
SMILESc1ccc(-c2cc3c4c(cccc4c2)N(c2cccc(-n4c5ccccc5c5ccccc54)c2)c2ncccc2-3)cc1
InChIInChI=1S/C39H25N3/c1-2-11-26(12-3-1)28-23-27-13-8-21-37-38(27)34(24-28)33-18-10-22-40-39(33)42(37)30-15-9-14-29(25-30)41-35-19-6-4-16-31(35)32-17-5-7-20-36(32)41/h1-25H
InChIKeyZUQJJVBMLDLOOC-UHFFFAOYSA-N
XLogP10.45
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(3-carbazol-9-ylphenyl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene with MolForge

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Related Compounds

15-phenyl-8-(9-phenylcarbazol-3-yl)-4,6,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 126682730
8-(4-carbazol-9-ylphenyl)-15-phenyl-4,6,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 126682675
15-phenyl-8-(9-phenylcarbazol-3-yl)-3,5,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 126682733
15-phenyl-8-[3-(3-triphenylen-2-ylphenyl)phenyl]-3,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
CID 126682892
3-(3-phenylcarbazol-9-yl)-11-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaene
CID 130326206
9-(3-fluoranthen-2-ylphenyl)-2-[9-[9-[9-(3-fluoranthen-2-ylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-3-yl]-6-(3-phenylcarbazol-9-yl)carbazole
CID 163849353
9-(3-fluoranthen-2-ylphenyl)-3,6-diphenylcarbazole
CID 130294968
9-[3-[3-[2-(3-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 122433877
5-[9-(3-fluoranthen-2-ylphenyl)carbazol-3-yl]benzo[b]carbazole
CID 130295328
9-[4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170109684
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-phenyl-4,6,8-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 126682827
9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole
CID 161148569

Frequently Asked Questions

What is the IUPAC name of 8-(3-carbazol-9-ylphenyl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene?
The IUPAC name of 8-(3-carbazol-9-ylphenyl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene (CID 126682860) is 8-(3-carbazol-9-ylphenyl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene.
What is the SMILES notation for 8-(3-carbazol-9-ylphenyl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene?
The canonical SMILES for 8-(3-carbazol-9-ylphenyl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene is c1ccc(-c2cc3c4c(cccc4c2)N(c2cccc(-n4c5ccccc5c5ccccc54)c2)c2ncccc2-3)cc1.
What is the InChIKey of 8-(3-carbazol-9-ylphenyl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene?
The InChIKey is ZUQJJVBMLDLOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3/c1-2-11-26(12-3-1)28-23-27-13-8-21-37-38(27)34(24-28)33-18-10-22-40-39(33)42(37)30-15-9-14-29(25-30)41-35-19-6-4-16-31(35)32-17-5-7-20-36(32)41/h1-25H.
What are the key properties of 8-(3-carbazol-9-ylphenyl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene?
8-(3-carbazol-9-ylphenyl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene has a molecular weight of 535.65 g/mol, XLogP of 10.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-carbazol-9-ylphenyl)-15-phenyl-6,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene is sourced from PubChem (CID 126682860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).