N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline

C48H32F2N2 — CID 90193949

IUPACN-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline
SMILESFc1ccc(-c2ccc(N(c3ccc(F)cc3)c3ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C48H32F2N2/c49-39-19-11-34(12-20-39)35-13-23-42(24-14-35)51(44-27-21-40(50)22-28-44)43-25-15-36(16-26-43)38-18-30-48-46(32-38)45-31-37(33-7-3-1-4-8-33)17-29-47(45)52(48)41-9-5-2-6-10-41/h1-32H
InChIKeyFFJVZHFHSBNTHJ-UHFFFAOYSA-N
MW674.79 g/mol
LogP13.53
Rot. Bonds7

About N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline

N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline (PubChem CID 90193949) has the molecular formula C48H32F2N2 and a molecular weight of 674.79 g/mol. Its IUPAC name is N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline.

Molecular Properties

Compound NameN-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline
PubChem CID90193949
Molecular FormulaC48H32F2N2
Molecular Weight674.79 g/mol
Exact Mass674.25
IUPAC NameN-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline
SMILESFc1ccc(-c2ccc(N(c3ccc(F)cc3)c3ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C48H32F2N2/c49-39-19-11-34(12-20-39)35-13-23-42(24-14-35)51(44-27-21-40(50)22-28-44)43-25-15-36(16-26-43)38-18-30-48-46(32-38)45-31-37(33-7-3-1-4-8-33)17-29-47(45)52(48)41-9-5-2-6-10-41/h1-32H
InChIKeyFFJVZHFHSBNTHJ-UHFFFAOYSA-N
XLogP13.53
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.79
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(6,9-diphenylcarbazol-3-yl)-N-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline;N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline;N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-phenylaniline
CID 161184897
N-[4-[3-(6,9-diphenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59470021
N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312844
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
4-(7,9-diphenylcarbazol-3-yl)-N-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline;N-[4-(7,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline;N-[4-(7,9-diphenylcarbazol-3-yl)phenyl]-N-[4-(4-fluorophenyl)phenyl]-4-phenylaniline;N-[4-(7,9-diphenylcarbazol-3-yl)phenyl]-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]-4-phenylaniline
CID 162181990
4-(7,9-diphenylcarbazol-3-yl)-N-(4-fluorophenyl)-N-[4-(2,3,4,5,6-pentafluorophenyl)phenyl]aniline
CID 90193946
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
N-(4-fluorophenyl)-4-[9-(4-methylphenyl)carbazol-3-yl]-N-phenylaniline
CID 90194000
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 118155144
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-fluorophenyl)-3-(9-phenylcarbazol-3-yl)aniline
CID 164832089
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline;N,N,9-tris(4-phenylphenyl)carbazol-2-amine
CID 159022204
3-N-(6,9-diphenylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275802

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline?
The IUPAC name of N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline (CID 90193949) is N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline.
What is the SMILES notation for N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline?
The canonical SMILES for N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline is Fc1ccc(-c2ccc(N(c3ccc(F)cc3)c3ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline?
The InChIKey is FFJVZHFHSBNTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32F2N2/c49-39-19-11-34(12-20-39)35-13-23-42(24-14-35)51(44-27-21-40(50)22-28-44)43-25-15-36(16-26-43)38-18-30-48-46(32-38)45-31-37(33-7-3-1-4-8-33)17-29-47(45)52(48)41-9-5-2-6-10-41/h1-32H.
What are the key properties of N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline?
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline has a molecular weight of 674.79 g/mol, XLogP of 13.53, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N,4-bis(4-fluorophenyl)aniline is sourced from PubChem (CID 90193949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).