N-phenyl-2-[3-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]aniline

C42H30N2 — CID 118907859

IUPACN-phenyl-2-[3-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]aniline
SMILESc1ccc(Nc2ccccc2-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C42H30N2/c1-3-13-30(14-4-1)32-16-12-20-36(28-32)44-41-24-10-8-22-38(41)39-29-33(25-26-42(39)44)31-15-11-17-34(27-31)37-21-7-9-23-40(37)43-35-18-5-2-6-19-35/h1-29,43H
InChIKeyQUUXPIXFSQZMQJ-UHFFFAOYSA-N
MW562.72 g/mol
LogP11.53
Rot. Bonds6

About N-phenyl-2-[3-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]aniline

N-phenyl-2-[3-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]aniline (PubChem CID 118907859) has the molecular formula C42H30N2 and a molecular weight of 562.72 g/mol. Its IUPAC name is N-phenyl-2-[3-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]aniline.

Molecular Properties

Compound NameN-phenyl-2-[3-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]aniline
PubChem CID118907859
Molecular FormulaC42H30N2
Molecular Weight562.72 g/mol
Exact Mass562.24
IUPAC NameN-phenyl-2-[3-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]aniline
SMILESc1ccc(Nc2ccccc2-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C42H30N2/c1-3-13-30(14-4-1)32-16-12-20-36(28-32)44-41-24-10-8-22-38(41)39-29-33(25-26-42(39)44)31-15-11-17-34(27-31)37-21-7-9-23-40(37)43-35-18-5-2-6-19-35/h1-29,43H
InChIKeyQUUXPIXFSQZMQJ-UHFFFAOYSA-N
XLogP11.53
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.72
LogP ≤ 511.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 121360373
N-phenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
CID 59828022
2-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;3-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-naphthalen-2-ylphenyl)-2-(9-phenylcarbazol-3-yl)aniline;N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline
CID 158992655
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161346231
N-(3-carbazol-9-ylphenyl)-2-phenylaniline
CID 70950994
3-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]-9-(3-phenylphenyl)carbazole;3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazole;3-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-(3-phenylphenyl)carbazole
CID 158212129
5-carbazol-9-yl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline
CID 163631547
9-[2-(3-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine
CID 169288929
9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265445
9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-[9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 167244726
4-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 165386055
1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine
CID 175396320

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[3-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]aniline?
The IUPAC name of N-phenyl-2-[3-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]aniline (CID 118907859) is N-phenyl-2-[3-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]aniline.
What is the SMILES notation for N-phenyl-2-[3-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]aniline?
The canonical SMILES for N-phenyl-2-[3-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]aniline is c1ccc(Nc2ccccc2-c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4ccccc4)c3)c2)cc1.
What is the InChIKey of N-phenyl-2-[3-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]aniline?
The InChIKey is QUUXPIXFSQZMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N2/c1-3-13-30(14-4-1)32-16-12-20-36(28-32)44-41-24-10-8-22-38(41)39-29-33(25-26-42(39)44)31-15-11-17-34(27-31)37-21-7-9-23-40(37)43-35-18-5-2-6-19-35/h1-29,43H.
What are the key properties of N-phenyl-2-[3-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]aniline?
N-phenyl-2-[3-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]aniline has a molecular weight of 562.72 g/mol, XLogP of 11.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[3-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]aniline is sourced from PubChem (CID 118907859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).