3-butyl-9-[4-(3-butyl-6-methylcarbazol-9-yl)phenyl]-6-methylcarbazole;N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

C83H82N4 — CID 123999534

IUPAC3-butyl-9-[4-(3-butyl-6-methylcarbazol-9-yl)phenyl]-6-methylcarbazole;N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCCCCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)cc1.CCCCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-n2c3ccc(C)cc3c3cc(CCCC)ccc32)cc1
InChIInChI=1S/C43H42N2.C40H40N2/c1-5-6-7-35-14-26-41(27-15-35)45(40-24-12-34(4)13-25-40)43-30-18-37(19-31-43)36-16-28-42(29-17-36)44(38-20-8-32(2)9-21-38)39-22-10-33(3)11-23-39;1-5-7-9-29-13-21-39-35(25-29)33-23-27(3)11-19-37(33)41(39)31-15-17-32(18-16-31)42-38-20-12-28(4)24-34(38)36-26-30(10-8-6-2)14-22-40(36)42/h8-31H,5-7H2,1-4H3;11-26H,5-10H2,1-4H3
InChIKeyXIKNPQCBOYQCAW-UHFFFAOYSA-N
MW1135.60 g/mol
LogP23.74
Rot. Bonds18

About 3-butyl-9-[4-(3-butyl-6-methylcarbazol-9-yl)phenyl]-6-methylcarbazole;N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

3-butyl-9-[4-(3-butyl-6-methylcarbazol-9-yl)phenyl]-6-methylcarbazole;N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 123999534) has the molecular formula C83H82N4 and a molecular weight of 1135.60 g/mol. Its IUPAC name is 3-butyl-9-[4-(3-butyl-6-methylcarbazol-9-yl)phenyl]-6-methylcarbazole;N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound Name3-butyl-9-[4-(3-butyl-6-methylcarbazol-9-yl)phenyl]-6-methylcarbazole;N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
PubChem CID123999534
Molecular FormulaC83H82N4
Molecular Weight1135.60 g/mol
Exact Mass1134.65
IUPAC Name3-butyl-9-[4-(3-butyl-6-methylcarbazol-9-yl)phenyl]-6-methylcarbazole;N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCCCCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)cc1.CCCCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-n2c3ccc(C)cc3c3cc(CCCC)ccc32)cc1
InChIInChI=1S/C43H42N2.C40H40N2/c1-5-6-7-35-14-26-41(27-15-35)45(40-24-12-34(4)13-25-40)43-30-18-37(19-31-43)36-16-28-42(29-17-36)44(38-20-8-32(2)9-21-38)39-22-10-33(3)11-23-39;1-5-7-9-29-13-21-39-35(25-29)33-23-27(3)11-19-37(33)41(39)31-15-17-32(18-16-31)42-38-20-12-28(4)24-34(38)36-26-30(10-8-6-2)14-22-40(36)42/h8-31H,5-7H2,1-4H3;11-26H,5-10H2,1-4H3
InChIKeyXIKNPQCBOYQCAW-UHFFFAOYSA-N
XLogP23.74
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001135.60
LogP ≤ 523.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-butyl-9-[4-(3-butyl-6-methylcarbazol-9-yl)phenyl]-6-methylcarbazole;N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline with MolForge

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Related Compounds

4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 58789445
N-[4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 138467755
N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;N,N-diphenyldibenzofuran-2-amine;N,N,9-triphenylcarbazol-3-amine
CID 158067519
6-bromo-9-(4-hexylphenyl)-N-(4-methylphenyl)-N-phenylcarbazol-3-amine
CID 135167848
9-[4-[5-[5-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-3,6-dimethylcarbazole;4-methyl-N-[4-[5-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-3-pyridinyl]-3-pyridinyl]phenyl]-N-(4-methylphenyl)aniline
CID 159131794
N,N-bis(3-hexyl-4-methylphenyl)-6-methyl-9-(4-methylphenyl)carbazol-3-amine
CID 130398280
N-[4-[4-(3,6-dihexylcarbazol-9-yl)phenyl]phenyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]aniline
CID 170936081
N-(4-butylphenyl)-3-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline
CID 134423688
CID 174005636
CID 174005636
9-[4-[9-(4-tert-butylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-3,6-di(carbazol-9-yl)carbazole;3,6-dibutyl-9-[9-[4-[9-(4-tert-butylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-6-(3,6-dibutylcarbazol-9-yl)carbazol-3-yl]carbazole;4-[4-[N-[4-(2,7-dimethyl-9-phenylfluoren-9-yl)phenyl]-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 160709397
N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)anilino)phenyl]phenyl]-4-methylaniline
CID 58250828
5-(2,6-dimethylphenyl)-11-(4-hexylphenyl)-2,8-dimethylindolo[3,2-b]carbazole
CID 129133621

Frequently Asked Questions

What is the IUPAC name of 3-butyl-9-[4-(3-butyl-6-methylcarbazol-9-yl)phenyl]-6-methylcarbazole;N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of 3-butyl-9-[4-(3-butyl-6-methylcarbazol-9-yl)phenyl]-6-methylcarbazole;N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (CID 123999534) is 3-butyl-9-[4-(3-butyl-6-methylcarbazol-9-yl)phenyl]-6-methylcarbazole;N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for 3-butyl-9-[4-(3-butyl-6-methylcarbazol-9-yl)phenyl]-6-methylcarbazole;N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for 3-butyl-9-[4-(3-butyl-6-methylcarbazol-9-yl)phenyl]-6-methylcarbazole;N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is CCCCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)cc1.CCCCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-n2c3ccc(C)cc3c3cc(CCCC)ccc32)cc1.
What is the InChIKey of 3-butyl-9-[4-(3-butyl-6-methylcarbazol-9-yl)phenyl]-6-methylcarbazole;N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is XIKNPQCBOYQCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H42N2.C40H40N2/c1-5-6-7-35-14-26-41(27-15-35)45(40-24-12-34(4)13-25-40)43-30-18-37(19-31-43)36-16-28-42(29-17-36)44(38-20-8-32(2)9-21-38)39-22-10-33(3)11-23-39;1-5-7-9-29-13-21-39-35(25-29)33-23-27(3)11-19-37(33)41(39)31-15-17-32(18-16-31)42-38-20-12-28(4)24-34(38)36-26-30(10-8-6-2)14-22-40(36)42/h8-31H,5-7H2,1-4H3;11-26H,5-10H2,1-4H3.
What are the key properties of 3-butyl-9-[4-(3-butyl-6-methylcarbazol-9-yl)phenyl]-6-methylcarbazole;N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
3-butyl-9-[4-(3-butyl-6-methylcarbazol-9-yl)phenyl]-6-methylcarbazole;N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 1135.60 g/mol, XLogP of 23.74, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-9-[4-(3-butyl-6-methylcarbazol-9-yl)phenyl]-6-methylcarbazole;N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 123999534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).