4-[2-[6-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline

C57H42N2 — CID 123489530

IUPAC4-[2-[6-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline
SMILESCC1(C)c2cc(-c3ccc4cc(C=Cc5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc4c3)ccc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C57H42N2/c1-57(2)53-38-44(30-33-49(53)51-34-35-52-50-20-12-13-21-54(50)59(56(52)55(51)57)47-18-10-5-11-19-47)43-29-28-41-36-40(24-27-42(41)37-43)23-22-39-25-31-48(32-26-39)58(45-14-6-3-7-15-45)46-16-8-4-9-17-46/h3-38H,1-2H3
InChIKeyVHXKVSGVPGLGIO-UHFFFAOYSA-N
MW754.98 g/mol
LogP15.55
Rot. Bonds7

About 4-[2-[6-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline

4-[2-[6-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline (PubChem CID 123489530) has the molecular formula C57H42N2 and a molecular weight of 754.98 g/mol. Its IUPAC name is 4-[2-[6-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[2-[6-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline
PubChem CID123489530
Molecular FormulaC57H42N2
Molecular Weight754.98 g/mol
Exact Mass754.33
IUPAC Name4-[2-[6-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline
SMILESCC1(C)c2cc(-c3ccc4cc(C=Cc5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc4c3)ccc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c21
InChIInChI=1S/C57H42N2/c1-57(2)53-38-44(30-33-49(53)51-34-35-52-50-20-12-13-21-54(50)59(56(52)55(51)57)47-18-10-5-11-19-47)43-29-28-41-36-40(24-27-42(41)37-43)23-22-39-25-31-48(32-26-39)58(45-14-6-3-7-15-45)46-16-8-4-9-17-46/h3-38H,1-2H3
InChIKeyVHXKVSGVPGLGIO-UHFFFAOYSA-N
XLogP15.55
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.98
LogP ≤ 515.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[2-[7-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenanthren-2-yl]ethenyl]-N,N-diphenylaniline
CID 123947405
4-(N-[4-[2-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)ethenyl]phenyl]anilino)benzonitrile
CID 123756943
4-[2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]ethynyl]-N,N-diphenylaniline
CID 71250126
2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 67473689
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-[2-[7-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)dibenzothiophen-3-yl]ethynyl]-N,N-diphenylaniline
CID 71250124
N-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline
CID 66585182
4-[2-[6-(9,9-dimethyl-1,2,3-triphenylindeno[1,2-f]indol-7-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline
CID 123536272
N-[4-[2-[6-(4-carbazol-9-ylphenyl)naphthalen-2-yl]ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 76600747
N-[7,7-dimethyl-9-(11-phenylbenzo[a]carbazol-3-yl)benzo[c]fluoren-5-yl]-N,9-diphenylcarbazol-3-amine
CID 90128745
8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 130289398
3-[(E)-2-[4-[7-[9,9-dimethyl-7-[4-[(E)-2-(9-phenylcarbazol-3-yl)ethenyl]phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]ethenyl]-9-phenylcarbazole
CID 59236662

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[2-[6-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline (CID 123489530) is 4-[2-[6-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[2-[6-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[2-[6-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline is CC1(C)c2cc(-c3ccc4cc(C=Cc5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc4c3)ccc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c21.
What is the InChIKey of 4-[2-[6-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline?
The InChIKey is VHXKVSGVPGLGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N2/c1-57(2)53-38-44(30-33-49(53)51-34-35-52-50-20-12-13-21-54(50)59(56(52)55(51)57)47-18-10-5-11-19-47)43-29-28-41-36-40(24-27-42(41)37-43)23-22-39-25-31-48(32-26-39)58(45-14-6-3-7-15-45)46-16-8-4-9-17-46/h3-38H,1-2H3.
What are the key properties of 4-[2-[6-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline?
4-[2-[6-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline has a molecular weight of 754.98 g/mol, XLogP of 15.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)naphthalen-2-yl]ethenyl]-N,N-diphenylaniline is sourced from PubChem (CID 123489530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).