4-N,4-N-bis[9-(3,4-difluorophenyl)carbazol-3-yl]-1-N,1-N-diphenylbenzene-1,4-diamine

C54H34F4N4 — CID 59760508

IUPAC4-N,4-N-bis[9-(3,4-difluorophenyl)carbazol-3-yl]-1-N,1-N-diphenylbenzene-1,4-diamine
SMILESFc1ccc(-n2c3ccccc3c3cc(N(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccc(F)c(F)c4)ccc32)cc1F
InChIInChI=1S/C54H34F4N4/c55-47-27-23-41(33-49(47)57)61-51-17-9-7-15-43(51)45-31-39(25-29-53(45)61)60(38-21-19-37(20-22-38)59(35-11-3-1-4-12-35)36-13-5-2-6-14-36)40-26-30-54-46(32-40)44-16-8-10-18-52(44)62(54)42-24-28-48(56)50(58)34-42/h1-34H
InChIKeyXMROYSCMVORDHX-UHFFFAOYSA-N
MW814.89 g/mol
LogP15.38
Rot. Bonds8

About 4-N,4-N-bis[9-(3,4-difluorophenyl)carbazol-3-yl]-1-N,1-N-diphenylbenzene-1,4-diamine

4-N,4-N-bis[9-(3,4-difluorophenyl)carbazol-3-yl]-1-N,1-N-diphenylbenzene-1,4-diamine (PubChem CID 59760508) has the molecular formula C54H34F4N4 and a molecular weight of 814.89 g/mol. Its IUPAC name is 4-N,4-N-bis[9-(3,4-difluorophenyl)carbazol-3-yl]-1-N,1-N-diphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-bis[9-(3,4-difluorophenyl)carbazol-3-yl]-1-N,1-N-diphenylbenzene-1,4-diamine
PubChem CID59760508
Molecular FormulaC54H34F4N4
Molecular Weight814.89 g/mol
Exact Mass814.27
IUPAC Name4-N,4-N-bis[9-(3,4-difluorophenyl)carbazol-3-yl]-1-N,1-N-diphenylbenzene-1,4-diamine
SMILESFc1ccc(-n2c3ccccc3c3cc(N(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccc(F)c(F)c4)ccc32)cc1F
InChIInChI=1S/C54H34F4N4/c55-47-27-23-41(33-49(47)57)61-51-17-9-7-15-43(51)45-31-39(25-29-53(45)61)60(38-21-19-37(20-22-38)59(35-11-3-1-4-12-35)36-13-5-2-6-14-36)40-26-30-54-46(32-40)44-16-8-10-18-52(44)62(54)42-24-28-48(56)50(58)34-42/h1-34H
InChIKeyXMROYSCMVORDHX-UHFFFAOYSA-N
XLogP15.38
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.89
LogP ≤ 515.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(3,4-difluorophenyl)-N-[9-(3,4-difluorophenyl)carbazol-3-yl]-N-(4-phenylphenyl)carbazol-3-amine
CID 59760541
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-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
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-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 58983384
4-N-(2-fluorophenyl)-1-N,1-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 59844234
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-[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,9-diphenylcarbazol-3-amine
CID 90181897

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis[9-(3,4-difluorophenyl)carbazol-3-yl]-1-N,1-N-diphenylbenzene-1,4-diamine?
The IUPAC name of 4-N,4-N-bis[9-(3,4-difluorophenyl)carbazol-3-yl]-1-N,1-N-diphenylbenzene-1,4-diamine (CID 59760508) is 4-N,4-N-bis[9-(3,4-difluorophenyl)carbazol-3-yl]-1-N,1-N-diphenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-bis[9-(3,4-difluorophenyl)carbazol-3-yl]-1-N,1-N-diphenylbenzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-bis[9-(3,4-difluorophenyl)carbazol-3-yl]-1-N,1-N-diphenylbenzene-1,4-diamine is Fc1ccc(-n2c3ccccc3c3cc(N(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccc(F)c(F)c4)ccc32)cc1F.
What is the InChIKey of 4-N,4-N-bis[9-(3,4-difluorophenyl)carbazol-3-yl]-1-N,1-N-diphenylbenzene-1,4-diamine?
The InChIKey is XMROYSCMVORDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34F4N4/c55-47-27-23-41(33-49(47)57)61-51-17-9-7-15-43(51)45-31-39(25-29-53(45)61)60(38-21-19-37(20-22-38)59(35-11-3-1-4-12-35)36-13-5-2-6-14-36)40-26-30-54-46(32-40)44-16-8-10-18-52(44)62(54)42-24-28-48(56)50(58)34-42/h1-34H.
What are the key properties of 4-N,4-N-bis[9-(3,4-difluorophenyl)carbazol-3-yl]-1-N,1-N-diphenylbenzene-1,4-diamine?
4-N,4-N-bis[9-(3,4-difluorophenyl)carbazol-3-yl]-1-N,1-N-diphenylbenzene-1,4-diamine has a molecular weight of 814.89 g/mol, XLogP of 15.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis[9-(3,4-difluorophenyl)carbazol-3-yl]-1-N,1-N-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 59760508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).