N-(3-fluorophenyl)-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-1-amine

C42H28FN3 — CID 138548951

IUPACN-(3-fluorophenyl)-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-1-amine
SMILESFc1cccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cccc3c4ccccc4n(-c4ccccc4)c23)c1
InChIInChI=1S/C42H28FN3/c43-29-13-11-18-32(27-29)44(33-25-26-36-34-19-7-9-22-38(34)45(41(36)28-33)30-14-3-1-4-15-30)40-24-12-21-37-35-20-8-10-23-39(35)46(42(37)40)31-16-5-2-6-17-31/h1-28H
InChIKeyNXSGRHXWRQXQJG-UHFFFAOYSA-N
MW593.71 g/mol
LogP11.49
Rot. Bonds5

About N-(3-fluorophenyl)-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-1-amine

N-(3-fluorophenyl)-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-1-amine (PubChem CID 138548951) has the molecular formula C42H28FN3 and a molecular weight of 593.71 g/mol. Its IUPAC name is N-(3-fluorophenyl)-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-1-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-1-amine
PubChem CID138548951
Molecular FormulaC42H28FN3
Molecular Weight593.71 g/mol
Exact Mass593.23
IUPAC NameN-(3-fluorophenyl)-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-1-amine
SMILESFc1cccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cccc3c4ccccc4n(-c4ccccc4)c23)c1
InChIInChI=1S/C42H28FN3/c43-29-13-11-18-32(27-29)44(33-25-26-36-34-19-7-9-22-38(34)45(41(36)28-33)30-14-3-1-4-15-30)40-24-12-21-37-35-20-8-10-23-39(35)46(42(37)40)31-16-5-2-6-17-31/h1-28H
InChIKeyNXSGRHXWRQXQJG-UHFFFAOYSA-N
XLogP11.49
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.71
LogP ≤ 511.49
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
6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-1-amine
CID 138549018
7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-4-amine
CID 138549138
9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-1-yl]-N-phenylcarbazol-1-amine
CID 138549107
7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 138549065
N-dibenzofuran-2-yl-9-(3-fluorophenyl)-N-(9-phenylcarbazol-3-yl)carbazol-1-amine
CID 138548961
6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 138549150
N,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-1-amine
CID 155004134
N-dibenzofuran-4-yl-N-[9-(3-fluorophenyl)carbazol-2-yl]-9-phenylcarbazol-2-amine
CID 138549038
N-(9,9-dimethylfluoren-2-yl)-N-[9-(3-fluorophenyl)carbazol-3-yl]-9-phenylcarbazol-1-amine;N-(9,9-dimethylfluoren-2-yl)-9-(3-fluorophenyl)-N-(9-phenylcarbazol-3-yl)carbazol-1-amine;N-(3-fluorophenyl)-9-(3-phenylphenyl)-N-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-1-amine
CID 159878639
2-chloro-1-N,3-N-diphenyl-1-N-[3-(N-phenylanilino)phenyl]-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 118220371
N-(9-phenylcarbazol-2-yl)-9-(4-phenylnaphthalen-1-yl)-N-(4-phenylphenyl)carbazol-1-amine
CID 155004375

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-1-amine?
The IUPAC name of N-(3-fluorophenyl)-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-1-amine (CID 138548951) is N-(3-fluorophenyl)-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-1-amine.
What is the SMILES notation for N-(3-fluorophenyl)-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-1-amine?
The canonical SMILES for N-(3-fluorophenyl)-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-1-amine is Fc1cccc(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2cccc3c4ccccc4n(-c4ccccc4)c23)c1.
What is the InChIKey of N-(3-fluorophenyl)-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-1-amine?
The InChIKey is NXSGRHXWRQXQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28FN3/c43-29-13-11-18-32(27-29)44(33-25-26-36-34-19-7-9-22-38(34)45(41(36)28-33)30-14-3-1-4-15-30)40-24-12-21-37-35-20-8-10-23-39(35)46(42(37)40)31-16-5-2-6-17-31/h1-28H.
What are the key properties of N-(3-fluorophenyl)-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-1-amine?
N-(3-fluorophenyl)-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-1-amine has a molecular weight of 593.71 g/mol, XLogP of 11.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-1-amine is sourced from PubChem (CID 138548951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).