N-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline

C57H41N3 — CID 66585182

IUPACN-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c3c21
InChIInChI=1S/C57H41N3/c1-57(2)51-20-10-6-16-45(51)49-36-37-50-48-19-9-13-23-54(48)60(56(50)55(49)57)44-34-30-42(31-35-44)58(40-26-24-39(25-27-40)38-14-4-3-5-15-38)41-28-32-43(33-29-41)59-52-21-11-7-17-46(52)47-18-8-12-22-53(47)59/h3-37H,1-2H3
InChIKeyIQXULDLZUDPPSV-UHFFFAOYSA-N
MW767.98 g/mol
LogP15.32
Rot. Bonds6

About N-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline

N-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline (PubChem CID 66585182) has the molecular formula C57H41N3 and a molecular weight of 767.98 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline
PubChem CID66585182
Molecular FormulaC57H41N3
Molecular Weight767.98 g/mol
Exact Mass767.33
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c3c21
InChIInChI=1S/C57H41N3/c1-57(2)51-20-10-6-16-45(51)49-36-37-50-48-19-9-13-23-54(48)60(56(50)55(49)57)44-34-30-42(31-35-44)58(40-26-24-39(25-27-40)38-14-4-3-5-15-38)41-28-32-43(33-29-41)59-52-21-11-7-17-46(52)47-18-8-12-22-53(47)59/h3-37H,1-2H3
InChIKeyIQXULDLZUDPPSV-UHFFFAOYSA-N
XLogP15.32
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.98
LogP ≤ 515.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118490399
4-N-[4-[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]phenyl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 66585196
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 58059187
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-1-phenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 167197133
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 177287712
11-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 67472124
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]fluoren-1-amine
CID 167255297
4-[2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]ethynyl]-N,N-diphenylaniline
CID 71250126
8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 130289398
12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazole
CID 121287062
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]aniline;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]fluoren-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]aniline
CID 159107567
4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118505683

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline (CID 66585182) is N-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline is CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c3c21.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline?
The InChIKey is IQXULDLZUDPPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41N3/c1-57(2)51-20-10-6-16-45(51)49-36-37-50-48-19-9-13-23-54(48)60(56(50)55(49)57)44-34-30-42(31-35-44)58(40-26-24-39(25-27-40)38-14-4-3-5-15-38)41-28-32-43(33-29-41)59-52-21-11-7-17-46(52)47-18-8-12-22-53(47)59/h3-37H,1-2H3.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline?
N-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline has a molecular weight of 767.98 g/mol, XLogP of 15.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline is sourced from PubChem (CID 66585182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).