N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-2-yl]aniline

C54H38N2 — CID 163918921

IUPACN-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-2-yl]aniline
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc(Nc6cc(-c7ccccc7)cc(-c7ccccc7)c6)c(-c6ccccc6)c5)cc43)cc2)cc1
InChIInChI=1S/C54H38N2/c1-5-15-38(16-6-1)41-25-29-48(30-26-41)56-53-24-14-13-23-49(53)50-31-27-44(37-54(50)56)43-28-32-52(51(36-43)42-21-11-4-12-22-42)55-47-34-45(39-17-7-2-8-18-39)33-46(35-47)40-19-9-3-10-20-40/h1-37,55H
InChIKeyACKKNTFMZBVDMH-UHFFFAOYSA-N
MW714.91 g/mol
LogP14.86
Rot. Bonds8

About N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-2-yl]aniline

N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-2-yl]aniline (PubChem CID 163918921) has the molecular formula C54H38N2 and a molecular weight of 714.91 g/mol. Its IUPAC name is N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-2-yl]aniline.

Molecular Properties

Compound NameN-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-2-yl]aniline
PubChem CID163918921
Molecular FormulaC54H38N2
Molecular Weight714.91 g/mol
Exact Mass714.30
IUPAC NameN-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-2-yl]aniline
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc(Nc6cc(-c7ccccc7)cc(-c7ccccc7)c6)c(-c6ccccc6)c5)cc43)cc2)cc1
InChIInChI=1S/C54H38N2/c1-5-15-38(16-6-1)41-25-29-48(30-26-41)56-53-24-14-13-23-49(53)50-31-27-44(37-54(50)56)43-28-32-52(51(36-43)42-21-11-4-12-22-42)55-47-34-45(39-17-7-2-8-18-39)33-46(35-47)40-19-9-3-10-20-40/h1-37,55H
InChIKeyACKKNTFMZBVDMH-UHFFFAOYSA-N
XLogP14.86
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.91
LogP ≤ 514.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-diphenylphenyl)-2-phenyl-5-(9-phenylcarbazol-2-yl)aniline;N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(3-phenylphenyl)carbazol-2-yl]aniline;N-(3,5-diphenylphenyl)-2-phenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]aniline
CID 163765260
2-phenyl-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 118907856
9-[4-(3,5-diphenylphenyl)phenyl]-2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 135166087
2-[9-(4-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 138747135
4-carbazol-9-yl-N,2-diphenylaniline
CID 121360313
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-2-yl]carbazole
CID 118231168
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248
2-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-2-yl]-9-(3-phenylphenyl)carbazole;2-[9-(3-phenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 165058453
1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine
CID 175396320
9-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 118595106
9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159046230
2-[3-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-5-(9-phenylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 59858750

Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-2-yl]aniline?
The IUPAC name of N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-2-yl]aniline (CID 163918921) is N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-2-yl]aniline.
What is the SMILES notation for N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-2-yl]aniline?
The canonical SMILES for N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-2-yl]aniline is c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5ccc(Nc6cc(-c7ccccc7)cc(-c7ccccc7)c6)c(-c6ccccc6)c5)cc43)cc2)cc1.
What is the InChIKey of N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-2-yl]aniline?
The InChIKey is ACKKNTFMZBVDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2/c1-5-15-38(16-6-1)41-25-29-48(30-26-41)56-53-24-14-13-23-49(53)50-31-27-44(37-54(50)56)43-28-32-52(51(36-43)42-21-11-4-12-22-42)55-47-34-45(39-17-7-2-8-18-39)33-46(35-47)40-19-9-3-10-20-40/h1-37,55H.
What are the key properties of N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-2-yl]aniline?
N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-2-yl]aniline has a molecular weight of 714.91 g/mol, XLogP of 14.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-2-yl]aniline is sourced from PubChem (CID 163918921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).