9-(3,4-difluorophenyl)-N-[9-(3,4-difluorophenyl)carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine

C48H29F4N3 — CID 59760541

IUPAC9-(3,4-difluorophenyl)-N-[9-(3,4-difluorophenyl)carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccc(F)c(F)c4)ccc32)cc1F
InChIInChI=1S/C48H29F4N3/c49-41-22-18-35(28-43(41)51)54-45-12-6-4-10-37(45)39-26-33(20-24-47(39)54)53(32-16-14-31(15-17-32)30-8-2-1-3-9-30)34-21-25-48-40(27-34)38-11-5-7-13-46(38)55(48)36-19-23-42(50)44(52)29-36/h1-29H
InChIKeyKBGOBDQZFLCHNY-UHFFFAOYSA-N
MW723.77 g/mol
LogP13.57
Rot. Bonds6

About 9-(3,4-difluorophenyl)-N-[9-(3,4-difluorophenyl)carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine

9-(3,4-difluorophenyl)-N-[9-(3,4-difluorophenyl)carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine (PubChem CID 59760541) has the molecular formula C48H29F4N3 and a molecular weight of 723.77 g/mol. Its IUPAC name is 9-(3,4-difluorophenyl)-N-[9-(3,4-difluorophenyl)carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound Name9-(3,4-difluorophenyl)-N-[9-(3,4-difluorophenyl)carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine
PubChem CID59760541
Molecular FormulaC48H29F4N3
Molecular Weight723.77 g/mol
Exact Mass723.23
IUPAC Name9-(3,4-difluorophenyl)-N-[9-(3,4-difluorophenyl)carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine
SMILESFc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccc(F)c(F)c4)ccc32)cc1F
InChIInChI=1S/C48H29F4N3/c49-41-22-18-35(28-43(41)51)54-45-12-6-4-10-37(45)39-26-33(20-24-47(39)54)53(32-16-14-31(15-17-32)30-8-2-1-3-9-30)34-21-25-48-40(27-34)38-11-5-7-13-46(38)55(48)36-19-23-42(50)44(52)29-36/h1-29H
InChIKeyKBGOBDQZFLCHNY-UHFFFAOYSA-N
XLogP13.57
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.77
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-N,4-N-bis[9-(3,4-difluorophenyl)carbazol-3-yl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 59760508
N-(3,4-difluorophenyl)-N-[4-[4-(3,4-difluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 59844914
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
9-(4-fluorophenyl)-N-[4-[4-[4-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]carbazol-3-amine
CID 59844874
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
2-carbazol-9-yl-9-[4-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]phenyl]carbazol-2-amine;9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 157469866
N-[4-(2-fluorophenyl)phenyl]-N-[4-[4-[4-(2-fluorophenyl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 59844901
4-[6-(4-carbazol-9-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N,N-diphenylaniline;4-(6-carbazol-9-yl-9-triphenylen-2-ylcarbazol-3-yl)-N,N-diphenylaniline;4-[6-(3,6-diphenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]-N,N-diphenylaniline;N,N-diphenyl-4-[6-(3-phenylcarbazol-9-yl)-9-triphenylen-2-ylcarbazol-3-yl]aniline;6-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-9-triphenylen-2-ylcarbazol-3-amine
CID 169430011

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-difluorophenyl)-N-[9-(3,4-difluorophenyl)carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine?
The IUPAC name of 9-(3,4-difluorophenyl)-N-[9-(3,4-difluorophenyl)carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine (CID 59760541) is 9-(3,4-difluorophenyl)-N-[9-(3,4-difluorophenyl)carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for 9-(3,4-difluorophenyl)-N-[9-(3,4-difluorophenyl)carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine?
The canonical SMILES for 9-(3,4-difluorophenyl)-N-[9-(3,4-difluorophenyl)carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine is Fc1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccc(F)c(F)c4)ccc32)cc1F.
What is the InChIKey of 9-(3,4-difluorophenyl)-N-[9-(3,4-difluorophenyl)carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine?
The InChIKey is KBGOBDQZFLCHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29F4N3/c49-41-22-18-35(28-43(41)51)54-45-12-6-4-10-37(45)39-26-33(20-24-47(39)54)53(32-16-14-31(15-17-32)30-8-2-1-3-9-30)34-21-25-48-40(27-34)38-11-5-7-13-46(38)55(48)36-19-23-42(50)44(52)29-36/h1-29H.
What are the key properties of 9-(3,4-difluorophenyl)-N-[9-(3,4-difluorophenyl)carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine?
9-(3,4-difluorophenyl)-N-[9-(3,4-difluorophenyl)carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine has a molecular weight of 723.77 g/mol, XLogP of 13.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-difluorophenyl)-N-[9-(3,4-difluorophenyl)carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 59760541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).