4-(9-methylcarbazol-1-yl)-N,N-bis[4-(9-methylcarbazol-1-yl)phenyl]aniline

C57H42N4 — CID 146558759

IUPAC4-(9-methylcarbazol-1-yl)-N,N-bis[4-(9-methylcarbazol-1-yl)phenyl]aniline
SMILESCn1c2ccccc2c2cccc(-c3ccc(N(c4ccc(-c5cccc6c7ccccc7n(C)c56)cc4)c4ccc(-c5cccc6c7ccccc7n(C)c56)cc4)cc3)c21
InChIInChI=1S/C57H42N4/c1-58-52-22-7-4-13-46(52)49-19-10-16-43(55(49)58)37-25-31-40(32-26-37)61(41-33-27-38(28-34-41)44-17-11-20-50-47-14-5-8-23-53(47)59(2)56(44)50)42-35-29-39(30-36-42)45-18-12-21-51-48-15-6-9-24-54(48)60(3)57(45)51/h4-36H,1-3H3
InChIKeyAPFYOMLTSHQJJT-UHFFFAOYSA-N
MW782.99 g/mol
LogP15.09
Rot. Bonds6

About 4-(9-methylcarbazol-1-yl)-N,N-bis[4-(9-methylcarbazol-1-yl)phenyl]aniline

4-(9-methylcarbazol-1-yl)-N,N-bis[4-(9-methylcarbazol-1-yl)phenyl]aniline (PubChem CID 146558759) has the molecular formula C57H42N4 and a molecular weight of 782.99 g/mol. Its IUPAC name is 4-(9-methylcarbazol-1-yl)-N,N-bis[4-(9-methylcarbazol-1-yl)phenyl]aniline.

Molecular Properties

Compound Name4-(9-methylcarbazol-1-yl)-N,N-bis[4-(9-methylcarbazol-1-yl)phenyl]aniline
PubChem CID146558759
Molecular FormulaC57H42N4
Molecular Weight782.99 g/mol
Exact Mass782.34
IUPAC Name4-(9-methylcarbazol-1-yl)-N,N-bis[4-(9-methylcarbazol-1-yl)phenyl]aniline
SMILESCn1c2ccccc2c2cccc(-c3ccc(N(c4ccc(-c5cccc6c7ccccc7n(C)c56)cc4)c4ccc(-c5cccc6c7ccccc7n(C)c56)cc4)cc3)c21
InChIInChI=1S/C57H42N4/c1-58-52-22-7-4-13-46(52)49-19-10-16-43(55(49)58)37-25-31-40(32-26-37)61(41-33-27-38(28-34-41)44-17-11-20-50-47-14-5-8-23-53(47)59(2)56(44)50)42-35-29-39(30-36-42)45-18-12-21-51-48-15-6-9-24-54(48)60(3)57(45)51/h4-36H,1-3H3
InChIKeyAPFYOMLTSHQJJT-UHFFFAOYSA-N
XLogP15.09
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.99
LogP ≤ 515.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hexoxyphenyl)-9-methylcarbazole
CID 175494654
9-methyl-N,N-diphenylcarbazol-1-amine
CID 126631131
4-(11-methylindolo[2,3-a]carbazol-12-yl)-N,N-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]aniline
CID 118944227
N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;methane;4-phenyl-N-[4-(1-phenylcarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 158576235
7,9-dimethyl-1-phenylcarbazole
CID 118392012
N-[4-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]-N,4-diphenylaniline
CID 118547581
N-[4-(7-methylbenzo[c]carbazol-11-yl)phenyl]-N,4-diphenylaniline
CID 126631257
11-methyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)benzo[a]carbazol-9-amine
CID 126628513
N-[4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,15(22),16,18,20-decaen-3-yl)phenyl]-N,4-diphenylaniline
CID 153286399
4-phenyl-N-[4-(21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaen-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 146509245
12-methyl-1,11-diphenylindolo[2,3-a]carbazole
CID 176615335
1-[2,3-bis(ethenyl)-1-methylindol-7-yl]-9-methylcarbazole
CID 145430239

Frequently Asked Questions

What is the IUPAC name of 4-(9-methylcarbazol-1-yl)-N,N-bis[4-(9-methylcarbazol-1-yl)phenyl]aniline?
The IUPAC name of 4-(9-methylcarbazol-1-yl)-N,N-bis[4-(9-methylcarbazol-1-yl)phenyl]aniline (CID 146558759) is 4-(9-methylcarbazol-1-yl)-N,N-bis[4-(9-methylcarbazol-1-yl)phenyl]aniline.
What is the SMILES notation for 4-(9-methylcarbazol-1-yl)-N,N-bis[4-(9-methylcarbazol-1-yl)phenyl]aniline?
The canonical SMILES for 4-(9-methylcarbazol-1-yl)-N,N-bis[4-(9-methylcarbazol-1-yl)phenyl]aniline is Cn1c2ccccc2c2cccc(-c3ccc(N(c4ccc(-c5cccc6c7ccccc7n(C)c56)cc4)c4ccc(-c5cccc6c7ccccc7n(C)c56)cc4)cc3)c21.
What is the InChIKey of 4-(9-methylcarbazol-1-yl)-N,N-bis[4-(9-methylcarbazol-1-yl)phenyl]aniline?
The InChIKey is APFYOMLTSHQJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N4/c1-58-52-22-7-4-13-46(52)49-19-10-16-43(55(49)58)37-25-31-40(32-26-37)61(41-33-27-38(28-34-41)44-17-11-20-50-47-14-5-8-23-53(47)59(2)56(44)50)42-35-29-39(30-36-42)45-18-12-21-51-48-15-6-9-24-54(48)60(3)57(45)51/h4-36H,1-3H3.
What are the key properties of 4-(9-methylcarbazol-1-yl)-N,N-bis[4-(9-methylcarbazol-1-yl)phenyl]aniline?
4-(9-methylcarbazol-1-yl)-N,N-bis[4-(9-methylcarbazol-1-yl)phenyl]aniline has a molecular weight of 782.99 g/mol, XLogP of 15.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-methylcarbazol-1-yl)-N,N-bis[4-(9-methylcarbazol-1-yl)phenyl]aniline is sourced from PubChem (CID 146558759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).