7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-2-amine

C42H28FN3 — CID 138549015

IUPAC7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-2-amine
SMILESFc1ccc2c3ccc(N(c4ccccc4)c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3n(-c3ccccc3)c2c1
InChIInChI=1S/C42H28FN3/c43-29-23-25-35-36-26-24-33(28-41(36)45(40(35)27-29)31-15-6-2-7-16-31)44(30-13-4-1-5-14-30)39-22-12-20-37-34-19-10-11-21-38(34)46(42(37)39)32-17-8-3-9-18-32/h1-28H
InChIKeyVIQHVIVFKBSHHF-UHFFFAOYSA-N
MW593.71 g/mol
LogP11.49
Rot. Bonds5

About 7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-2-amine

7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-2-amine (PubChem CID 138549015) 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-1-yl)carbazol-2-amine.

Molecular Properties

Compound Name7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-2-amine
PubChem CID138549015
Molecular FormulaC42H28FN3
Molecular Weight593.71 g/mol
Exact Mass593.23
IUPAC Name7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-2-amine
SMILESFc1ccc2c3ccc(N(c4ccccc4)c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3n(-c3ccccc3)c2c1
InChIInChI=1S/C42H28FN3/c43-29-23-25-35-36-26-24-33(28-41(36)45(40(35)27-29)31-15-6-2-7-16-31)44(30-13-4-1-5-14-30)39-22-12-20-37-34-19-10-11-21-38(34)46(42(37)39)32-17-8-3-9-18-32/h1-28H
InChIKeyVIQHVIVFKBSHHF-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-1-amine
CID 138549018
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
7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 138549065
9-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-1-yl]-N-phenylcarbazol-1-amine
CID 138549107
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
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
1-N,7-N-diphenyl-1-N,7-N-bis(9-phenylcarbazol-3-yl)chrysene-1,7-diamine
CID 170410725
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
1-N,4-N-bis(4-fluorophenyl)-1-N,4-N-bis(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 58983384

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-2-amine?
The IUPAC name of 7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-2-amine (CID 138549015) is 7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-2-amine.
What is the SMILES notation for 7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-2-amine?
The canonical SMILES for 7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-2-amine is Fc1ccc2c3ccc(N(c4ccccc4)c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3n(-c3ccccc3)c2c1.
What is the InChIKey of 7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-2-amine?
The InChIKey is VIQHVIVFKBSHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28FN3/c43-29-23-25-35-36-26-24-33(28-41(36)45(40(35)27-29)31-15-6-2-7-16-31)44(30-13-4-1-5-14-30)39-22-12-20-37-34-19-10-11-21-38(34)46(42(37)39)32-17-8-3-9-18-32/h1-28H.
What are the key properties of 7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-yl)carbazol-2-amine?
7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-1-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-1-yl)carbazol-2-amine is sourced from PubChem (CID 138549015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).