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

C38H24N4 — CID 126682730

IUPAC15-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
SMILESc1ccc(-c2cc3c4c(cccc4c2)N(c2ccc4c(c2)c2ccccc2n4-c2ccccc2)c2ncncc2-3)cc1
InChIInChI=1S/C38H24N4/c1-3-10-25(11-4-1)27-20-26-12-9-17-36-37(26)32(21-27)33-23-39-24-40-38(33)42(36)29-18-19-35-31(22-29)30-15-7-8-16-34(30)41(35)28-13-5-2-6-14-28/h1-24H
InChIKeyACHQPYLPCVWCTN-UHFFFAOYSA-N
MW536.64 g/mol
LogP9.84
Rot. Bonds3

About 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

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 (PubChem CID 126682730) has the molecular formula C38H24N4 and a molecular weight of 536.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name15-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
PubChem CID126682730
Molecular FormulaC38H24N4
Molecular Weight536.64 g/mol
Exact Mass536.20
IUPAC Name15-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
SMILESc1ccc(-c2cc3c4c(cccc4c2)N(c2ccc4c(c2)c2ccccc2n4-c2ccccc2)c2ncncc2-3)cc1
InChIInChI=1S/C38H24N4/c1-3-10-25(11-4-1)27-20-26-12-9-17-36-37(26)32(21-27)33-23-39-24-40-38(33)42(36)29-18-19-35-31(22-29)30-15-7-8-16-34(30)41(35)28-13-5-2-6-14-28/h1-24H
InChIKeyACHQPYLPCVWCTN-UHFFFAOYSA-N
XLogP9.84
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.64
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
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
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
8-phenyl-15-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-8,10,12-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 126682696
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
5-[9-(3-fluoranthen-2-ylphenyl)carbazol-3-yl]benzo[b]carbazole
CID 130295328
27-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]-18-azaheptacyclo[16.10.1.02,11.04,9.012,17.019,24.025,29]nonacosa-1(28),2,4,6,8,10,12,14,16,19,21,23,25(29),26-tetradecaene
CID 121355785
3-(9-fluoranthen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 130295225
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-quinolin-8-ylcarbazole
CID 164797310
3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3,5-diphenylphenyl)carbazole
CID 170374855
9-(4-pyren-2-ylphenyl)carbazole
CID 58273485

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc3c4c(cccc4c2)N(c2ccc4c(c2)c2ccccc2n4-c2ccccc2)c2ncncc2-3)cc1.
What is the InChIKey of 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?
The InChIKey is ACHQPYLPCVWCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4/c1-3-10-25(11-4-1)27-20-26-12-9-17-36-37(26)32(21-27)33-23-39-24-40-38(33)42(36)29-18-19-35-31(22-29)30-15-7-8-16-34(30)41(35)28-13-5-2-6-14-28/h1-24H.
What are the key properties of 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?
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 has a molecular weight of 536.64 g/mol, XLogP of 9.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126682730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).