3-chloro-N-phenyl-5-[4-(12-phenyl-7H-indeno[1,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;ethane

C57H43ClN2 — CID 142290518

IUPAC3-chloro-N-phenyl-5-[4-(12-phenyl-7H-indeno[1,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;ethane
SMILESCC.Clc1cc(-c2ccc(-c3cc4c5ccccc5n(-c5ccccc5)c4c4c3Cc3ccccc3-4)cc2)cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C55H37ClN2.C2H6/c56-43-32-42(33-47(35-43)57(44-17-6-2-7-18-44)46-30-28-38(29-31-46)37-14-4-1-5-15-37)39-24-26-40(27-25-39)50-36-52-49-22-12-13-23-53(49)58(45-19-8-3-9-20-45)55(52)54-48-21-11-10-16-41(48)34-51(50)54;1-2/h1-33,35-36H,34H2;1-2H3
InChIKeyWULOGVULCVMPFD-UHFFFAOYSA-N
MW791.44 g/mol
LogP16.51
Rot. Bonds7

About 3-chloro-N-phenyl-5-[4-(12-phenyl-7H-indeno[1,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;ethane

3-chloro-N-phenyl-5-[4-(12-phenyl-7H-indeno[1,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;ethane (PubChem CID 142290518) has the molecular formula C57H43ClN2 and a molecular weight of 791.44 g/mol. Its IUPAC name is 3-chloro-N-phenyl-5-[4-(12-phenyl-7H-indeno[1,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;ethane.

Molecular Properties

Compound Name3-chloro-N-phenyl-5-[4-(12-phenyl-7H-indeno[1,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;ethane
PubChem CID142290518
Molecular FormulaC57H43ClN2
Molecular Weight791.44 g/mol
Exact Mass790.31
IUPAC Name3-chloro-N-phenyl-5-[4-(12-phenyl-7H-indeno[1,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;ethane
SMILESCC.Clc1cc(-c2ccc(-c3cc4c5ccccc5n(-c5ccccc5)c4c4c3Cc3ccccc3-4)cc2)cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C55H37ClN2.C2H6/c56-43-32-42(33-47(35-43)57(44-17-6-2-7-18-44)46-30-28-38(29-31-46)37-14-4-1-5-15-37)39-24-26-40(27-25-39)50-36-52-49-22-12-13-23-53(49)58(45-19-8-3-9-20-45)55(52)54-48-21-11-10-16-41(48)34-51(50)54;1-2/h1-33,35-36H,34H2;1-2H3
InChIKeyWULOGVULCVMPFD-UHFFFAOYSA-N
XLogP16.51
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.44
LogP ≤ 516.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-phenyl-5-[4-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161338244
3-chloro-N-phenyl-5-[3-(12-phenyl-[1]benzothiolo[2,3-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 134275273
N-(3-chloro-5-phenylphenyl)-N,9-diphenylcarbazol-2-amine
CID 165090660
3-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168789959
4-(5,12-diphenylindolo[3,2-c]carbazol-6-yl)-N,N-diphenylaniline
CID 135225138
N-[2,6-bis(3-phenylphenyl)phenyl]-N-(3-chloro-5-phenylphenyl)-9-phenylcarbazol-3-amine
CID 176811982
N-phenyl-3-(9-phenylcarbazol-3-yl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168788475
N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline
CID 118289059
N,4-diphenyl-N-[4-(5-phenylbenzo[b]carbazol-6-yl)phenyl]aniline
CID 134552415
1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 177275922
N-[3-chloro-5-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 134275222
N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 148828998

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-phenyl-5-[4-(12-phenyl-7H-indeno[1,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;ethane?
The IUPAC name of 3-chloro-N-phenyl-5-[4-(12-phenyl-7H-indeno[1,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;ethane (CID 142290518) is 3-chloro-N-phenyl-5-[4-(12-phenyl-7H-indeno[1,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;ethane.
What is the SMILES notation for 3-chloro-N-phenyl-5-[4-(12-phenyl-7H-indeno[1,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;ethane?
The canonical SMILES for 3-chloro-N-phenyl-5-[4-(12-phenyl-7H-indeno[1,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;ethane is CC.Clc1cc(-c2ccc(-c3cc4c5ccccc5n(-c5ccccc5)c4c4c3Cc3ccccc3-4)cc2)cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 3-chloro-N-phenyl-5-[4-(12-phenyl-7H-indeno[1,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;ethane?
The InChIKey is WULOGVULCVMPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37ClN2.C2H6/c56-43-32-42(33-47(35-43)57(44-17-6-2-7-18-44)46-30-28-38(29-31-46)37-14-4-1-5-15-37)39-24-26-40(27-25-39)50-36-52-49-22-12-13-23-53(49)58(45-19-8-3-9-20-45)55(52)54-48-21-11-10-16-41(48)34-51(50)54;1-2/h1-33,35-36H,34H2;1-2H3.
What are the key properties of 3-chloro-N-phenyl-5-[4-(12-phenyl-7H-indeno[1,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;ethane?
3-chloro-N-phenyl-5-[4-(12-phenyl-7H-indeno[1,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;ethane has a molecular weight of 791.44 g/mol, XLogP of 16.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-phenyl-5-[4-(12-phenyl-7H-indeno[1,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;ethane is sourced from PubChem (CID 142290518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).