9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-1-yl]-N-phenylcarbazol-1-amine

C42H27F2N3 — CID 138549107

IUPAC9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-1-yl]-N-phenylcarbazol-1-amine
SMILESFc1ccc(-n2c3ccccc3c3cccc(N(c4ccccc4)c4cccc5c6ccccc6n(-c6ccc(F)cc6)c45)c32)cc1
InChIInChI=1S/C42H27F2N3/c43-28-20-24-31(25-21-28)46-37-16-6-4-12-33(37)35-14-8-18-39(41(35)46)45(30-10-2-1-3-11-30)40-19-9-15-36-34-13-5-7-17-38(34)47(42(36)40)32-26-22-29(44)23-27-32/h1-27H
InChIKeyZXYKYDNCZNAZAF-UHFFFAOYSA-N
MW611.70 g/mol
LogP11.63
Rot. Bonds5

About 9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-1-yl]-N-phenylcarbazol-1-amine

9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-1-yl]-N-phenylcarbazol-1-amine (PubChem CID 138549107) has the molecular formula C42H27F2N3 and a molecular weight of 611.70 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-1-yl]-N-phenylcarbazol-1-amine.

Molecular Properties

Compound Name9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-1-yl]-N-phenylcarbazol-1-amine
PubChem CID138549107
Molecular FormulaC42H27F2N3
Molecular Weight611.70 g/mol
Exact Mass611.22
IUPAC Name9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-1-yl]-N-phenylcarbazol-1-amine
SMILESFc1ccc(-n2c3ccccc3c3cccc(N(c4ccccc4)c4cccc5c6ccccc6n(-c6ccc(F)cc6)c45)c32)cc1
InChIInChI=1S/C42H27F2N3/c43-28-20-24-31(25-21-28)46-37-16-6-4-12-33(37)35-14-8-18-39(41(35)46)45(30-10-2-1-3-11-30)40-19-9-15-36-34-13-5-7-17-38(34)47(42(36)40)32-26-22-29(44)23-27-32/h1-27H
InChIKeyZXYKYDNCZNAZAF-UHFFFAOYSA-N
XLogP11.63
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.70
LogP ≤ 511.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-2-amine
CID 138549015
7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-4-amine
CID 138549138
6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-1-amine
CID 138549018
N-(3-fluorophenyl)-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-1-amine
CID 138548951
N,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-1-amine
CID 155004134
N,9-bis(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-4-yl]carbazol-4-amine
CID 138548978
N-phenyl-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazol-1-amine
CID 155004275
N-(4-carbazol-9-ylphenyl)-9,10-bis(4-fluorophenyl)-N-phenylanthracen-1-amine
CID 59211090
1-phenyl-1-(9-phenylcarbazol-1-yl)hydrazine
CID 163955801
N-(16-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N,9-diphenylcarbazol-1-amine
CID 166032412
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
N-(9,9-dimethylfluoren-2-yl)-6-fluoro-9-phenyl-N-(9-phenylcarbazol-1-yl)carbazol-1-amine
CID 138549073

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-1-yl]-N-phenylcarbazol-1-amine?
The IUPAC name of 9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-1-yl]-N-phenylcarbazol-1-amine (CID 138549107) is 9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-1-yl]-N-phenylcarbazol-1-amine.
What is the SMILES notation for 9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-1-yl]-N-phenylcarbazol-1-amine?
The canonical SMILES for 9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-1-yl]-N-phenylcarbazol-1-amine is Fc1ccc(-n2c3ccccc3c3cccc(N(c4ccccc4)c4cccc5c6ccccc6n(-c6ccc(F)cc6)c45)c32)cc1.
What is the InChIKey of 9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-1-yl]-N-phenylcarbazol-1-amine?
The InChIKey is ZXYKYDNCZNAZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27F2N3/c43-28-20-24-31(25-21-28)46-37-16-6-4-12-33(37)35-14-8-18-39(41(35)46)45(30-10-2-1-3-11-30)40-19-9-15-36-34-13-5-7-17-38(34)47(42(36)40)32-26-22-29(44)23-27-32/h1-27H.
What are the key properties of 9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-1-yl]-N-phenylcarbazol-1-amine?
9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-1-yl]-N-phenylcarbazol-1-amine has a molecular weight of 611.70 g/mol, XLogP of 11.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-1-yl]-N-phenylcarbazol-1-amine is sourced from PubChem (CID 138549107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).