6-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-9-phenylcarbazole-3-carbonitrile

C53H32N2 — CID 166868514

IUPAC6-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-9-phenylcarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-c3ccc(-c4cc(-c5ccccc5)c5c(c4-c4ccccc4)-c4cccc6cccc-5c46)cc3)ccc1n2-c1ccccc1
InChIInChI=1S/C53H32N2/c54-33-34-22-28-48-46(30-34)47-31-40(27-29-49(47)55(48)41-18-8-3-9-19-41)35-23-25-37(26-24-35)44-32-45(36-12-4-1-5-13-36)52-42-20-10-16-38-17-11-21-43(50(38)42)53(52)51(44)39-14-6-2-7-15-39/h1-32H
InChIKeyDBZOMDLJLLSQJR-UHFFFAOYSA-N
MW696.85 g/mol
LogP14.12
Rot. Bonds5

About 6-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-9-phenylcarbazole-3-carbonitrile

6-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-9-phenylcarbazole-3-carbonitrile (PubChem CID 166868514) has the molecular formula C53H32N2 and a molecular weight of 696.85 g/mol. Its IUPAC name is 6-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-9-phenylcarbazole-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-9-phenylcarbazole-3-carbonitrile
PubChem CID166868514
Molecular FormulaC53H32N2
Molecular Weight696.85 g/mol
Exact Mass696.26
IUPAC Name6-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-9-phenylcarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-c3ccc(-c4cc(-c5ccccc5)c5c(c4-c4ccccc4)-c4cccc6cccc-5c46)cc3)ccc1n2-c1ccccc1
InChIInChI=1S/C53H32N2/c54-33-34-22-28-48-46(30-34)47-31-40(27-29-49(47)55(48)41-18-8-3-9-19-41)35-23-25-37(26-24-35)44-32-45(36-12-4-1-5-13-36)52-42-20-10-16-38-17-11-21-43(50(38)42)53(52)51(44)39-14-6-2-7-15-39/h1-32H
InChIKeyDBZOMDLJLLSQJR-UHFFFAOYSA-N
XLogP14.12
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.85
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]benzonitrile
CID 166868316
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044
6-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoranthen-3-yl]phenyl]-9-phenylcarbazole-3-carbonitrile
CID 165376102
4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 118632433
7,10-diphenyl-8-(4-phenylphenyl)fluoranthene
CID 59844130
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole-3-carbonitrile
CID 118152758
5-[3-[7,10-bis(3-phenylphenyl)fluoranthen-8-yl]phenyl]benzene-1,3-dicarbonitrile
CID 166868365
2-[3-(2-phenylphenyl)carbazol-9-yl]benzo[c]phenanthrene-11-carbonitrile
CID 145009443
4-[3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-phenylphenyl]benzonitrile
CID 138675154
8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile
CID 135136147
3-[3-(7,9,10-triphenylfluoranthen-2-yl)phenyl]benzonitrile
CID 166868435
3-(7,9,10-triphenylfluoranthen-8-yl)benzonitrile
CID 166868424

Frequently Asked Questions

What is the IUPAC name of 6-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-9-phenylcarbazole-3-carbonitrile?
The IUPAC name of 6-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-9-phenylcarbazole-3-carbonitrile (CID 166868514) is 6-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-9-phenylcarbazole-3-carbonitrile.
What is the SMILES notation for 6-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-9-phenylcarbazole-3-carbonitrile?
The canonical SMILES for 6-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-9-phenylcarbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1cc(-c3ccc(-c4cc(-c5ccccc5)c5c(c4-c4ccccc4)-c4cccc6cccc-5c46)cc3)ccc1n2-c1ccccc1.
What is the InChIKey of 6-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-9-phenylcarbazole-3-carbonitrile?
The InChIKey is DBZOMDLJLLSQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2/c54-33-34-22-28-48-46(30-34)47-31-40(27-29-49(47)55(48)41-18-8-3-9-19-41)35-23-25-37(26-24-35)44-32-45(36-12-4-1-5-13-36)52-42-20-10-16-38-17-11-21-43(50(38)42)53(52)51(44)39-14-6-2-7-15-39/h1-32H.
What are the key properties of 6-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-9-phenylcarbazole-3-carbonitrile?
6-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-9-phenylcarbazole-3-carbonitrile has a molecular weight of 696.85 g/mol, XLogP of 14.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-9-phenylcarbazole-3-carbonitrile is sourced from PubChem (CID 166868514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).