methane;N-phenylaniline;N,N,5,10-tetraphenylindolo[3,2-b]indol-3-amine

C51H42N4 — CID 158718269

IUPACmethane;N-phenylaniline;N,N,5,10-tetraphenylindolo[3,2-b]indol-3-amine
SMILESC.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2c(c4ccccc4n2-c2ccccc2)n3-c2ccccc2)cc1.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C38H27N3.C12H11N.CH4/c1-5-15-28(16-6-1)39(29-17-7-2-8-18-29)32-25-26-36-34(27-32)38-37(41(36)31-21-11-4-12-22-31)33-23-13-14-24-35(33)40(38)30-19-9-3-10-20-30;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h1-27H;1-10,13H;1H4
InChIKeyIJPBYWCDVXYAIW-UHFFFAOYSA-N
MW710.93 g/mol
LogP14.26
Rot. Bonds7

About methane;N-phenylaniline;N,N,5,10-tetraphenylindolo[3,2-b]indol-3-amine

methane;N-phenylaniline;N,N,5,10-tetraphenylindolo[3,2-b]indol-3-amine (PubChem CID 158718269) has the molecular formula C51H42N4 and a molecular weight of 710.93 g/mol. Its IUPAC name is methane;N-phenylaniline;N,N,5,10-tetraphenylindolo[3,2-b]indol-3-amine.

Molecular Properties

Compound Namemethane;N-phenylaniline;N,N,5,10-tetraphenylindolo[3,2-b]indol-3-amine
PubChem CID158718269
Molecular FormulaC51H42N4
Molecular Weight710.93 g/mol
Exact Mass710.34
IUPAC Namemethane;N-phenylaniline;N,N,5,10-tetraphenylindolo[3,2-b]indol-3-amine
SMILESC.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2c(c4ccccc4n2-c2ccccc2)n3-c2ccccc2)cc1.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C38H27N3.C12H11N.CH4/c1-5-15-28(16-6-1)39(29-17-7-2-8-18-29)32-25-26-36-34(27-32)38-37(41(36)31-21-11-4-12-22-31)33-23-13-14-24-35(33)40(38)30-19-9-3-10-20-30;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h1-27H;1-10,13H;1H4
InChIKeyIJPBYWCDVXYAIW-UHFFFAOYSA-N
XLogP14.26
TPSA25.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.93
LogP ≤ 514.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,9-diphenyl-1-[4-(N-phenylanilino)phenyl]carbazol-3-amine
CID 146296558
N-[4-(4-anilinophenyl)phenyl]-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine
CID 138528996
N-[4-(4-anilinophenyl)phenyl]-N,11-diphenylbenzo[a]carbazol-5-amine
CID 130279544
2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine
CID 164801794
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
N,N,12-triphenyl-5-[3-(N-phenylanilino)phenyl]indolo[3,2-c]carbazol-2-amine
CID 90050790
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963

Frequently Asked Questions

What is the IUPAC name of methane;N-phenylaniline;N,N,5,10-tetraphenylindolo[3,2-b]indol-3-amine?
The IUPAC name of methane;N-phenylaniline;N,N,5,10-tetraphenylindolo[3,2-b]indol-3-amine (CID 158718269) is methane;N-phenylaniline;N,N,5,10-tetraphenylindolo[3,2-b]indol-3-amine.
What is the SMILES notation for methane;N-phenylaniline;N,N,5,10-tetraphenylindolo[3,2-b]indol-3-amine?
The canonical SMILES for methane;N-phenylaniline;N,N,5,10-tetraphenylindolo[3,2-b]indol-3-amine is C.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2c(c4ccccc4n2-c2ccccc2)n3-c2ccccc2)cc1.c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of methane;N-phenylaniline;N,N,5,10-tetraphenylindolo[3,2-b]indol-3-amine?
The InChIKey is IJPBYWCDVXYAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N3.C12H11N.CH4/c1-5-15-28(16-6-1)39(29-17-7-2-8-18-29)32-25-26-36-34(27-32)38-37(41(36)31-21-11-4-12-22-31)33-23-13-14-24-35(33)40(38)30-19-9-3-10-20-30;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h1-27H;1-10,13H;1H4.
What are the key properties of methane;N-phenylaniline;N,N,5,10-tetraphenylindolo[3,2-b]indol-3-amine?
methane;N-phenylaniline;N,N,5,10-tetraphenylindolo[3,2-b]indol-3-amine has a molecular weight of 710.93 g/mol, XLogP of 14.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-phenylaniline;N,N,5,10-tetraphenylindolo[3,2-b]indol-3-amine is sourced from PubChem (CID 158718269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).