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

C50H31N5 — CID 126682696

IUPAC8-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
SMILESc1ccc(N2c3ccccc3-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc4ncnc2c34)cc1
InChIInChI=1S/C50H31N5/c1-3-13-34(14-4-1)53-44-20-10-7-17-37(44)40-27-32(23-25-47(40)53)33-24-26-48-41(28-33)38-18-8-11-21-45(38)54(48)36-29-42-39-19-9-12-22-46(39)55(35-15-5-2-6-16-35)50-49(42)43(30-36)51-31-52-50/h1-31H
InChIKeySYLQTKKZFVARSQ-UHFFFAOYSA-N
MW701.83 g/mol
LogP12.94
Rot. Bonds4

About 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

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 (PubChem CID 126682696) has the molecular formula C50H31N5 and a molecular weight of 701.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-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
PubChem CID126682696
Molecular FormulaC50H31N5
Molecular Weight701.83 g/mol
Exact Mass701.26
IUPAC Name8-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
SMILESc1ccc(N2c3ccccc3-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc4ncnc2c34)cc1
InChIInChI=1S/C50H31N5/c1-3-13-34(14-4-1)53-44-20-10-7-17-37(44)40-27-32(23-25-47(40)53)33-24-26-48-41(28-33)38-18-8-11-21-45(38)54(48)36-29-42-39-19-9-12-22-46(39)55(35-15-5-2-6-16-35)50-49(42)43(30-36)51-31-52-50/h1-31H
InChIKeySYLQTKKZFVARSQ-UHFFFAOYSA-N
XLogP12.94
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.83
LogP ≤ 512.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
18-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15(20),16,18,21(25),22-dodecaene
CID 121386081
8-(8-bromonaphthalen-1-yl)-5-(9-phenylcarbazol-3-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 135279846
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
9-quinazolin-4-yl-3-(9-quinazolin-4-ylcarbazol-3-yl)carbazole
CID 166905672
3-(2-carbazol-9-ylphenyl)-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 170060036
3-(9-phenylcarbazol-3-yl)-9-[2-[3-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590325
3-carbazol-9-yl-9-phenyl-1-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 138705475
7-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 130326265
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N2c3ccccc3-c3cc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc4ncnc2c34)cc1.
What is the InChIKey of 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?
The InChIKey is SYLQTKKZFVARSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N5/c1-3-13-34(14-4-1)53-44-20-10-7-17-37(44)40-27-32(23-25-47(40)53)33-24-26-48-41(28-33)38-18-8-11-21-45(38)54(48)36-29-42-39-19-9-12-22-46(39)55(35-15-5-2-6-16-35)50-49(42)43(30-36)51-31-52-50/h1-31H.
What are the key properties of 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?
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 has a molecular weight of 701.83 g/mol, XLogP of 12.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126682696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).