9-[4-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]phenyl]-3,6-bis(4-fluorophenyl)carbazole

C60H36F4N2 — CID 23534185

IUPAC9-[4-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]phenyl]-3,6-bis(4-fluorophenyl)carbazole
SMILESFc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(F)cc4)ccc2n3-c2ccc(-c3ccc(-n4c5ccc(-c6ccc(F)cc6)cc5c5cc(-c6ccc(F)cc6)ccc54)cc3)cc2)cc1
InChIInChI=1S/C60H36F4N2/c61-47-17-1-39(2-18-47)43-13-29-57-53(33-43)54-34-44(40-3-19-48(62)20-4-40)14-30-58(54)65(57)51-25-9-37(10-26-51)38-11-27-52(28-12-38)66-59-31-15-45(41-5-21-49(63)22-6-41)35-55(59)56-36-46(16-32-60(56)66)42-7-23-50(64)24-8-42/h1-36H
InChIKeyWGUDOXJKSNERGX-UHFFFAOYSA-N
MW860.95 g/mol
LogP16.77
Rot. Bonds7

About 9-[4-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]phenyl]-3,6-bis(4-fluorophenyl)carbazole

9-[4-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]phenyl]-3,6-bis(4-fluorophenyl)carbazole (PubChem CID 23534185) has the molecular formula C60H36F4N2 and a molecular weight of 860.95 g/mol. Its IUPAC name is 9-[4-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]phenyl]-3,6-bis(4-fluorophenyl)carbazole.

Molecular Properties

Compound Name9-[4-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]phenyl]-3,6-bis(4-fluorophenyl)carbazole
PubChem CID23534185
Molecular FormulaC60H36F4N2
Molecular Weight860.95 g/mol
Exact Mass860.28
IUPAC Name9-[4-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]phenyl]-3,6-bis(4-fluorophenyl)carbazole
SMILESFc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(F)cc4)ccc2n3-c2ccc(-c3ccc(-n4c5ccc(-c6ccc(F)cc6)cc5c5cc(-c6ccc(F)cc6)ccc54)cc3)cc2)cc1
InChIInChI=1S/C60H36F4N2/c61-47-17-1-39(2-18-47)43-13-29-57-53(33-43)54-34-44(40-3-19-48(62)20-4-40)14-30-58(54)65(57)51-25-9-37(10-26-51)38-11-27-52(28-12-38)66-59-31-15-45(41-5-21-49(63)22-6-41)35-55(59)56-36-46(16-32-60(56)66)42-7-23-50(64)24-8-42/h1-36H
InChIKeyWGUDOXJKSNERGX-UHFFFAOYSA-N
XLogP16.77
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.95
LogP ≤ 516.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]phenyl]-3,6-bis(4-fluorophenyl)carbazole;ethane
CID 142805188
3-fluoro-9-[4-[4-(3-fluorocarbazol-9-yl)phenyl]phenyl]carbazole
CID 23534181
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline
CID 90193949
3,6-bis[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59307012
N-(4-fluorophenyl)-4-(9-phenylcarbazol-3-yl)aniline
CID 59828035
9-(4-fluorophenyl)carbazole-3,6-diamine
CID 89271957
N-(4-fluorophenyl)-4-[9-(4-methylphenyl)carbazol-3-yl]-N-phenylaniline
CID 90194000
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
3,6-bis[6-methyl-9-(4-methylphenyl)carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 59412028
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole
CID 170001752

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]phenyl]-3,6-bis(4-fluorophenyl)carbazole?
The IUPAC name of 9-[4-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]phenyl]-3,6-bis(4-fluorophenyl)carbazole (CID 23534185) is 9-[4-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]phenyl]-3,6-bis(4-fluorophenyl)carbazole.
What is the SMILES notation for 9-[4-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]phenyl]-3,6-bis(4-fluorophenyl)carbazole?
The canonical SMILES for 9-[4-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]phenyl]-3,6-bis(4-fluorophenyl)carbazole is Fc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(F)cc4)ccc2n3-c2ccc(-c3ccc(-n4c5ccc(-c6ccc(F)cc6)cc5c5cc(-c6ccc(F)cc6)ccc54)cc3)cc2)cc1.
What is the InChIKey of 9-[4-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]phenyl]-3,6-bis(4-fluorophenyl)carbazole?
The InChIKey is WGUDOXJKSNERGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36F4N2/c61-47-17-1-39(2-18-47)43-13-29-57-53(33-43)54-34-44(40-3-19-48(62)20-4-40)14-30-58(54)65(57)51-25-9-37(10-26-51)38-11-27-52(28-12-38)66-59-31-15-45(41-5-21-49(63)22-6-41)35-55(59)56-36-46(16-32-60(56)66)42-7-23-50(64)24-8-42/h1-36H.
What are the key properties of 9-[4-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]phenyl]-3,6-bis(4-fluorophenyl)carbazole?
9-[4-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]phenyl]-3,6-bis(4-fluorophenyl)carbazole has a molecular weight of 860.95 g/mol, XLogP of 16.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]phenyl]-3,6-bis(4-fluorophenyl)carbazole is sourced from PubChem (CID 23534185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).