N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline

C54H38N2 — CID 138467443

IUPACN-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4cccc(-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C54H38N2/c1-3-12-39(13-4-1)41-22-30-47(31-23-41)55(49-34-28-44(29-35-49)46-17-11-16-45(38-46)40-14-5-2-6-15-40)48-32-24-42(25-33-48)43-26-36-50(37-27-43)56-53-20-9-7-18-51(53)52-19-8-10-21-54(52)56/h1-38H
InChIKeyBBTWTRORQGTWOR-UHFFFAOYSA-N
MW714.91 g/mol
LogP14.92
Rot. Bonds8

About N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline

N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 138467443) has the molecular formula C54H38N2 and a molecular weight of 714.91 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
PubChem CID138467443
Molecular FormulaC54H38N2
Molecular Weight714.91 g/mol
Exact Mass714.30
IUPAC NameN-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4cccc(-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C54H38N2/c1-3-12-39(13-4-1)41-22-30-47(31-23-41)55(49-34-28-44(29-35-49)46-17-11-16-45(38-46)40-14-5-2-6-15-40)48-32-24-42(25-33-48)43-26-36-50(37-27-43)56-53-20-9-7-18-51(53)52-19-8-10-21-54(52)56/h1-38H
InChIKeyBBTWTRORQGTWOR-UHFFFAOYSA-N
XLogP14.92
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.91
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 67472360
4-phenyl-N-[4-[3-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 90185795
N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]aniline
CID 71038437
4-(4-carbazol-9-ylphenyl)-N-[4-[3-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 88848896
N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 121312722
4-phenyl-N-[4-[4-(2-phenylcarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121312854
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
N-(4-carbazol-9-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 146580367
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 71038382
N-(4-carbazol-9-ylphenyl)-4-(4-phenylphenyl)-N-[4-(4-triphenylen-2-ylphenyl)phenyl]aniline
CID 146578481
4-(3-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline;9-[3-[3-(3-carbazol-9-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 161275498

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline (CID 138467443) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3ccc(-c4cccc(-c5ccccc5)c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
The InChIKey is BBTWTRORQGTWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2/c1-3-12-39(13-4-1)41-22-30-47(31-23-41)55(49-34-28-44(29-35-49)46-17-11-16-45(38-46)40-14-5-2-6-15-40)48-32-24-42(25-33-48)43-26-36-50(37-27-43)56-53-20-9-7-18-51(53)52-19-8-10-21-54(52)56/h1-38H.
What are the key properties of N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline has a molecular weight of 714.91 g/mol, XLogP of 14.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 138467443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).