4-methyl-N-[4-[3-[9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-N-(4-methylphenyl)aniline

C64H50N4 — CID 142724935

IUPAC4-methyl-N-[4-[3-[9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-n3c4ccccc4c4cc(-c5cccc6c5c5ccccc5n6-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)ccc43)cc2)cc1
InChIInChI=1S/C64H50N4/c1-43-16-25-48(26-17-43)65(49-27-18-44(2)19-28-49)52-33-37-54(38-34-52)67-60-13-7-5-10-57(60)59-42-47(24-41-62(59)67)56-12-9-15-63-64(56)58-11-6-8-14-61(58)68(63)55-39-35-53(36-40-55)66(50-29-20-45(3)21-30-50)51-31-22-46(4)23-32-51/h5-42H,1-4H3
InChIKeyVUHNSRZXZWIATE-UHFFFAOYSA-N
MW875.13 g/mol
LogP17.72
Rot. Bonds9

About 4-methyl-N-[4-[3-[9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-N-(4-methylphenyl)aniline

4-methyl-N-[4-[3-[9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-N-(4-methylphenyl)aniline (PubChem CID 142724935) has the molecular formula C64H50N4 and a molecular weight of 875.13 g/mol. Its IUPAC name is 4-methyl-N-[4-[3-[9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-N-(4-methylphenyl)aniline.

Molecular Properties

Compound Name4-methyl-N-[4-[3-[9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-N-(4-methylphenyl)aniline
PubChem CID142724935
Molecular FormulaC64H50N4
Molecular Weight875.13 g/mol
Exact Mass874.40
IUPAC Name4-methyl-N-[4-[3-[9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-n3c4ccccc4c4cc(-c5cccc6c5c5ccccc5n6-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)ccc43)cc2)cc1
InChIInChI=1S/C64H50N4/c1-43-16-25-48(26-17-43)65(49-27-18-44(2)19-28-49)52-33-37-54(38-34-52)67-60-13-7-5-10-57(60)59-42-47(24-41-62(59)67)56-12-9-15-63-64(56)58-11-6-8-14-61(58)68(63)55-39-35-53(36-40-55)66(50-29-20-45(3)21-30-50)51-31-22-46(4)23-32-51/h5-42H,1-4H3
InChIKeyVUHNSRZXZWIATE-UHFFFAOYSA-N
XLogP17.72
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.13
LogP ≤ 517.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[4-[3-[9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-N-(4-methylphenyl)aniline with MolForge

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Related Compounds

3-methyl-9-[4-[9-(4-methylphenyl)carbazol-4-yl]phenyl]carbazole
CID 174182442
9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-4-yl]carbazole
CID 146187387
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]aniline
CID 121403668
N,N-diphenyl-4-[4-[4-[4-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]phenyl]aniline
CID 121403671
4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline
CID 71493884
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 159617132
N-[4-[3-carbazol-9-yl-6-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 156545359
3-(9-phenylcarbazol-4-yl)-9-triphenylen-2-ylcarbazole
CID 146270951
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103101
N-(4-carbazol-9-ylphenyl)-9-phenyl-N-[3-(9-phenylcarbazol-4-yl)phenyl]carbazol-2-amine
CID 170286553
4-[4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5-(4-methylphenyl)phenyl]phenyl]aniline
CID 146331747

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[3-[9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-N-(4-methylphenyl)aniline?
The IUPAC name of 4-methyl-N-[4-[3-[9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-N-(4-methylphenyl)aniline (CID 142724935) is 4-methyl-N-[4-[3-[9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-N-(4-methylphenyl)aniline.
What is the SMILES notation for 4-methyl-N-[4-[3-[9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-N-(4-methylphenyl)aniline?
The canonical SMILES for 4-methyl-N-[4-[3-[9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-N-(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-n3c4ccccc4c4cc(-c5cccc6c5c5ccccc5n6-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)ccc43)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-[3-[9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-N-(4-methylphenyl)aniline?
The InChIKey is VUHNSRZXZWIATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H50N4/c1-43-16-25-48(26-17-43)65(49-27-18-44(2)19-28-49)52-33-37-54(38-34-52)67-60-13-7-5-10-57(60)59-42-47(24-41-62(59)67)56-12-9-15-63-64(56)58-11-6-8-14-61(58)68(63)55-39-35-53(36-40-55)66(50-29-20-45(3)21-30-50)51-31-22-46(4)23-32-51/h5-42H,1-4H3.
What are the key properties of 4-methyl-N-[4-[3-[9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-N-(4-methylphenyl)aniline?
4-methyl-N-[4-[3-[9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-N-(4-methylphenyl)aniline has a molecular weight of 875.13 g/mol, XLogP of 17.72, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[3-[9-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]carbazol-4-yl]carbazol-9-yl]phenyl]-N-(4-methylphenyl)aniline is sourced from PubChem (CID 142724935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).