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

C42H28FN3 — CID 138549065

IUPAC7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
SMILESFc1ccc2c3ccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3n(-c3ccccc3)c2c1
InChIInChI=1S/C42H28FN3/c43-29-20-23-36-38-25-22-34(28-42(38)46(40(36)26-29)32-16-8-3-9-17-32)44(30-12-4-1-5-13-30)33-21-24-37-35-18-10-11-19-39(35)45(41(37)27-33)31-14-6-2-7-15-31/h1-28H
InChIKeyBGTLSLHCPQFJQR-UHFFFAOYSA-N
MW593.71 g/mol
LogP11.49
Rot. Bonds5

About 7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine

7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine (PubChem CID 138549065) has the molecular formula C42H28FN3 and a molecular weight of 593.71 g/mol. Its IUPAC name is 7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine.

Molecular Properties

Compound Name7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
PubChem CID138549065
Molecular FormulaC42H28FN3
Molecular Weight593.71 g/mol
Exact Mass593.23
IUPAC Name7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
SMILESFc1ccc2c3ccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3n(-c3ccccc3)c2c1
InChIInChI=1S/C42H28FN3/c43-29-20-23-36-38-25-22-34(28-42(38)46(40(36)26-29)32-16-8-3-9-17-32)44(30-12-4-1-5-13-30)33-21-24-37-35-18-10-11-19-39(35)45(41(37)27-33)31-14-6-2-7-15-31/h1-28H
InChIKeyBGTLSLHCPQFJQR-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

6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 138549150
1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 58983384
7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-2-amine
CID 138549015
9-(4-fluorophenyl)-N-[4-[4-(N-[9-(4-fluorophenyl)carbazol-2-yl]-4-methylanilino)phenyl]phenyl]-N-phenylcarbazol-2-amine
CID 176642990
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084
6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-1-amine
CID 138549018
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 138747235
N-(4-tert-butylphenyl)-N,9-diphenylcarbazol-2-amine
CID 167340371
N-[4-(3,5-diphenylphenyl)phenyl]-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 70808585
N-(3-fluorophenyl)-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-1-amine
CID 138548951
7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-4-amine
CID 138549138

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine?
The IUPAC name of 7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine (CID 138549065) is 7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine.
What is the SMILES notation for 7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine?
The canonical SMILES for 7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine is Fc1ccc2c3ccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3n(-c3ccccc3)c2c1.
What is the InChIKey of 7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine?
The InChIKey is BGTLSLHCPQFJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28FN3/c43-29-20-23-36-38-25-22-34(28-42(38)46(40(36)26-29)32-16-8-3-9-17-32)44(30-12-4-1-5-13-30)33-21-24-37-35-18-10-11-19-39(35)45(41(37)27-33)31-14-6-2-7-15-31/h1-28H.
What are the key properties of 7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine?
7-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 7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine is sourced from PubChem (CID 138549065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).