4-methyl-3-[3-[2-methyl-5-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-bis(4-methylphenyl)aniline

C66H55N3 — CID 90071614

IUPAC4-methyl-3-[3-[2-methyl-5-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-bis(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(C)c(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-c4cc(N(c5ccc(C)cc5)c5ccc(C)cc5)ccc4C)c3)c2)cc1
InChIInChI=1S/C66H55N3/c1-44-16-27-55(28-17-44)67(56-29-18-45(2)19-30-56)59-35-24-48(5)62(42-59)52-38-51(50-26-37-66-64(41-50)61-14-10-11-15-65(61)69(66)54-12-8-7-9-13-54)39-53(40-52)63-43-60(36-25-49(63)6)68(57-31-20-46(3)21-32-57)58-33-22-47(4)23-34-58/h7-43H,1-6H3
InChIKeyFRABLHPOFNALNB-UHFFFAOYSA-N
MW890.19 g/mol
LogP18.57
Rot. Bonds10

About 4-methyl-3-[3-[2-methyl-5-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-bis(4-methylphenyl)aniline

4-methyl-3-[3-[2-methyl-5-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-bis(4-methylphenyl)aniline (PubChem CID 90071614) has the molecular formula C66H55N3 and a molecular weight of 890.19 g/mol. Its IUPAC name is 4-methyl-3-[3-[2-methyl-5-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-bis(4-methylphenyl)aniline.

Molecular Properties

Compound Name4-methyl-3-[3-[2-methyl-5-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-bis(4-methylphenyl)aniline
PubChem CID90071614
Molecular FormulaC66H55N3
Molecular Weight890.19 g/mol
Exact Mass889.44
IUPAC Name4-methyl-3-[3-[2-methyl-5-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-bis(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(C)c(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-c4cc(N(c5ccc(C)cc5)c5ccc(C)cc5)ccc4C)c3)c2)cc1
InChIInChI=1S/C66H55N3/c1-44-16-27-55(28-17-44)67(56-29-18-45(2)19-30-56)59-35-24-48(5)62(42-59)52-38-51(50-26-37-66-64(41-50)61-14-10-11-15-65(61)69(66)54-12-8-7-9-13-54)39-53(40-52)63-43-60(36-25-49(63)6)68(57-31-20-46(3)21-32-57)58-33-22-47(4)23-34-58/h7-43H,1-6H3
InChIKeyFRABLHPOFNALNB-UHFFFAOYSA-N
XLogP18.57
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500890.19
LogP ≤ 518.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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;9-[4-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]carbazole
CID 160896823
4-N-[3-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[3-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 162228540
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
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
N,N-bis(4-methylphenyl)-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]aniline;N,N-diphenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]aniline;4-[6-(6-methyl-9-phenylcarbazol-3-yl)-9-phenylcarbazol-3-yl]-N,N-diphenylaniline
CID 159011512
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
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
N-[4-(3,5-diphenylphenyl)phenyl]-4-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;N-[4-(3,5-diphenylphenyl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;N-[4-(3,5-diphenylphenyl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159476241
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
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline
CID 118289059

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[3-[2-methyl-5-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-bis(4-methylphenyl)aniline?
The IUPAC name of 4-methyl-3-[3-[2-methyl-5-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-bis(4-methylphenyl)aniline (CID 90071614) is 4-methyl-3-[3-[2-methyl-5-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-bis(4-methylphenyl)aniline.
What is the SMILES notation for 4-methyl-3-[3-[2-methyl-5-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-bis(4-methylphenyl)aniline?
The canonical SMILES for 4-methyl-3-[3-[2-methyl-5-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-bis(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(C)c(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-c4cc(N(c5ccc(C)cc5)c5ccc(C)cc5)ccc4C)c3)c2)cc1.
What is the InChIKey of 4-methyl-3-[3-[2-methyl-5-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-bis(4-methylphenyl)aniline?
The InChIKey is FRABLHPOFNALNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H55N3/c1-44-16-27-55(28-17-44)67(56-29-18-45(2)19-30-56)59-35-24-48(5)62(42-59)52-38-51(50-26-37-66-64(41-50)61-14-10-11-15-65(61)69(66)54-12-8-7-9-13-54)39-53(40-52)63-43-60(36-25-49(63)6)68(57-31-20-46(3)21-32-57)58-33-22-47(4)23-34-58/h7-43H,1-6H3.
What are the key properties of 4-methyl-3-[3-[2-methyl-5-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-bis(4-methylphenyl)aniline?
4-methyl-3-[3-[2-methyl-5-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-bis(4-methylphenyl)aniline has a molecular weight of 890.19 g/mol, XLogP of 18.57, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[3-[2-methyl-5-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-bis(4-methylphenyl)aniline is sourced from PubChem (CID 90071614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).