N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-3-fluoro-N-phenylaniline

C42H29FN2 — CID 155051690

IUPACN-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-3-fluoro-N-phenylaniline
SMILESFc1cccc(N(c2ccccc2)c2ccc(-c3cc4c5ccccc5n(-c5ccccc5)c4cc3-c3ccccc3)cc2)c1
InChIInChI=1S/C42H29FN2/c43-32-15-12-20-36(27-32)44(33-16-6-2-7-17-33)35-25-23-31(24-26-35)38-28-40-37-21-10-11-22-41(37)45(34-18-8-3-9-19-34)42(40)29-39(38)30-13-4-1-5-14-30/h1-29H
InChIKeyRORHKJZUONDFIB-UHFFFAOYSA-N
MW580.71 g/mol
LogP11.73
Rot. Bonds6

About N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-3-fluoro-N-phenylaniline

N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-3-fluoro-N-phenylaniline (PubChem CID 155051690) has the molecular formula C42H29FN2 and a molecular weight of 580.71 g/mol. Its IUPAC name is N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-3-fluoro-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-3-fluoro-N-phenylaniline
PubChem CID155051690
Molecular FormulaC42H29FN2
Molecular Weight580.71 g/mol
Exact Mass580.23
IUPAC NameN-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-3-fluoro-N-phenylaniline
SMILESFc1cccc(N(c2ccccc2)c2ccc(-c3cc4c5ccccc5n(-c5ccccc5)c4cc3-c3ccccc3)cc2)c1
InChIInChI=1S/C42H29FN2/c43-32-15-12-20-36(27-32)44(33-16-6-2-7-17-33)35-25-23-31(24-26-35)38-28-40-37-21-10-11-22-41(37)45(34-18-8-3-9-19-34)42(40)29-39(38)30-13-4-1-5-14-30/h1-29H
InChIKeyRORHKJZUONDFIB-UHFFFAOYSA-N
XLogP11.73
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.71
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-fluorophenyl)-3-(9-phenylcarbazol-3-yl)aniline
CID 164832089
1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 177275922
N-(4-carbazol-9-ylphenyl)-4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]-N-phenylaniline
CID 176611462
2-(4-fluorophenyl)-N,N,9-triphenylcarbazol-3-amine
CID 155051741
6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 138549150
7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 138549065
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
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[3-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275807

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-3-fluoro-N-phenylaniline?
The IUPAC name of N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-3-fluoro-N-phenylaniline (CID 155051690) is N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-3-fluoro-N-phenylaniline.
What is the SMILES notation for N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-3-fluoro-N-phenylaniline?
The canonical SMILES for N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-3-fluoro-N-phenylaniline is Fc1cccc(N(c2ccccc2)c2ccc(-c3cc4c5ccccc5n(-c5ccccc5)c4cc3-c3ccccc3)cc2)c1.
What is the InChIKey of N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-3-fluoro-N-phenylaniline?
The InChIKey is RORHKJZUONDFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29FN2/c43-32-15-12-20-36(27-32)44(33-16-6-2-7-17-33)35-25-23-31(24-26-35)38-28-40-37-21-10-11-22-41(37)45(34-18-8-3-9-19-34)42(40)29-39(38)30-13-4-1-5-14-30/h1-29H.
What are the key properties of N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-3-fluoro-N-phenylaniline?
N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-3-fluoro-N-phenylaniline has a molecular weight of 580.71 g/mol, XLogP of 11.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-3-fluoro-N-phenylaniline is sourced from PubChem (CID 155051690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).