6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine

C42H28FN3 — CID 138549150

IUPAC6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
SMILESFc1ccc2c(c1)c1ccc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc1n2-c1ccccc1
InChIInChI=1S/C42H28FN3/c43-29-20-25-40-38(26-29)37-24-22-34(28-42(37)46(40)32-16-8-3-9-17-32)44(30-12-4-1-5-13-30)33-21-23-36-35-18-10-11-19-39(35)45(41(36)27-33)31-14-6-2-7-15-31/h1-28H
InChIKeyKFCWKIKLJOBZKZ-UHFFFAOYSA-N
MW593.71 g/mol
LogP11.49
Rot. Bonds5

About 6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine

6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine (PubChem CID 138549150) has the molecular formula C42H28FN3 and a molecular weight of 593.71 g/mol. Its IUPAC name is 6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
PubChem CID138549150
Molecular FormulaC42H28FN3
Molecular Weight593.71 g/mol
Exact Mass593.23
IUPAC Name6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
SMILESFc1ccc2c(c1)c1ccc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc1n2-c1ccccc1
InChIInChI=1S/C42H28FN3/c43-29-20-25-40-38(26-29)37-24-22-34(28-42(37)46(40)32-16-8-3-9-17-32)44(30-12-4-1-5-13-30)33-21-23-36-35-18-10-11-19-39(35)45(41(36)27-33)31-14-6-2-7-15-31/h1-28H
InChIKeyKFCWKIKLJOBZKZ-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-2-yl)carbazol-2-amine
CID 138549065
1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 58983384
6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-1-amine
CID 138549018
9-(4-fluorophenyl)-N-[4-[4-(N-[9-(4-fluorophenyl)carbazol-2-yl]-4-methylanilino)phenyl]phenyl]-N-phenylcarbazol-2-amine
CID 176642990
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
7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-2-amine
CID 138549015
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 118155144
N-(4-tert-butylphenyl)-N,9-diphenylcarbazol-2-amine
CID 167340371
4-N-[9-(4-fluorophenyl)-6-triphenylgermylcarbazol-3-yl]-1-N,1-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 140704798
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,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine?
The IUPAC name of 6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine (CID 138549150) is 6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine.
What is the SMILES notation for 6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine?
The canonical SMILES for 6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine is Fc1ccc2c(c1)c1ccc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc1n2-c1ccccc1.
What is the InChIKey of 6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine?
The InChIKey is KFCWKIKLJOBZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28FN3/c43-29-20-25-40-38(26-29)37-24-22-34(28-42(37)46(40)32-16-8-3-9-17-32)44(30-12-4-1-5-13-30)33-21-23-36-35-18-10-11-19-39(35)45(41(36)27-33)31-14-6-2-7-15-31/h1-28H.
What are the key properties of 6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine?
6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-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 6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine is sourced from PubChem (CID 138549150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).