N,5,6-triphenyl-N-pyridin-3-ylindolo[2,3-b]indol-3-amine

C37H26N4 — CID 146367048

IUPACN,5,6-triphenyl-N-pyridin-3-ylindolo[2,3-b]indol-3-amine
SMILESc1ccc(N(c2cccnc2)c2ccc3c4c5ccccc5n(-c5ccccc5)c4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C37H26N4/c1-4-13-27(14-5-1)39(31-19-12-24-38-26-31)30-22-23-33-35(25-30)41(29-17-8-3-9-18-29)37-36(33)32-20-10-11-21-34(32)40(37)28-15-6-2-7-16-28/h1-26H
InChIKeyYZOGSPRGYLVFOA-UHFFFAOYSA-N
MW526.64 g/mol
LogP9.59
Rot. Bonds5

About N,5,6-triphenyl-N-pyridin-3-ylindolo[2,3-b]indol-3-amine

N,5,6-triphenyl-N-pyridin-3-ylindolo[2,3-b]indol-3-amine (PubChem CID 146367048) has the molecular formula C37H26N4 and a molecular weight of 526.64 g/mol. Its IUPAC name is N,5,6-triphenyl-N-pyridin-3-ylindolo[2,3-b]indol-3-amine.

Molecular Properties

Compound NameN,5,6-triphenyl-N-pyridin-3-ylindolo[2,3-b]indol-3-amine
PubChem CID146367048
Molecular FormulaC37H26N4
Molecular Weight526.64 g/mol
Exact Mass526.22
IUPAC NameN,5,6-triphenyl-N-pyridin-3-ylindolo[2,3-b]indol-3-amine
SMILESc1ccc(N(c2cccnc2)c2ccc3c4c5ccccc5n(-c5ccccc5)c4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C37H26N4/c1-4-13-27(14-5-1)39(31-19-12-24-38-26-31)30-22-23-33-35(25-30)41(29-17-8-3-9-18-29)37-36(33)32-20-10-11-21-34(32)40(37)28-15-6-2-7-16-28/h1-26H
InChIKeyYZOGSPRGYLVFOA-UHFFFAOYSA-N
XLogP9.59
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.64
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-N,9-N-di(dibenzofuran-3-yl)-3-N,9-N,5,6-tetraphenylindolo[2,3-b]indole-3,9-diamine
CID 137471523
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084
4-methyl-N-(4-methylphenyl)-N-[4-(6-phenylindolo[2,3-b]indol-5-yl)phenyl]aniline
CID 70938011
5,6-diphenyl-N,N-bis(4-phenylphenyl)indolo[2,3-b]indol-2-amine;N-[4-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N,5,6-triphenyl-N-(2-phenylphenyl)indolo[2,3-b]indol-3-amine
CID 158019802
7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 138549065
N,N,12-triphenyl-5-[4-(N-phenylanilino)phenyl]indolo[2,3-g]carbazol-3-amine
CID 118122844
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 138747235
N,N-diphenyl-9-(5-phenylpyrido[4,3-b]indol-8-yl)carbazol-3-amine
CID 90168082
N,N-diphenyl-4-[(9-phenylcarbazol-3-yl)-dipyridin-3-ylsilyl]aniline
CID 158793280
N-(4-tert-butylphenyl)-N,9-diphenylcarbazol-2-amine
CID 167340371
N-[4-(3,5-diphenylphenyl)phenyl]-9-phenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 70808585

Frequently Asked Questions

What is the IUPAC name of N,5,6-triphenyl-N-pyridin-3-ylindolo[2,3-b]indol-3-amine?
The IUPAC name of N,5,6-triphenyl-N-pyridin-3-ylindolo[2,3-b]indol-3-amine (CID 146367048) is N,5,6-triphenyl-N-pyridin-3-ylindolo[2,3-b]indol-3-amine.
What is the SMILES notation for N,5,6-triphenyl-N-pyridin-3-ylindolo[2,3-b]indol-3-amine?
The canonical SMILES for N,5,6-triphenyl-N-pyridin-3-ylindolo[2,3-b]indol-3-amine is c1ccc(N(c2cccnc2)c2ccc3c4c5ccccc5n(-c5ccccc5)c4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of N,5,6-triphenyl-N-pyridin-3-ylindolo[2,3-b]indol-3-amine?
The InChIKey is YZOGSPRGYLVFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N4/c1-4-13-27(14-5-1)39(31-19-12-24-38-26-31)30-22-23-33-35(25-30)41(29-17-8-3-9-18-29)37-36(33)32-20-10-11-21-34(32)40(37)28-15-6-2-7-16-28/h1-26H.
What are the key properties of N,5,6-triphenyl-N-pyridin-3-ylindolo[2,3-b]indol-3-amine?
N,5,6-triphenyl-N-pyridin-3-ylindolo[2,3-b]indol-3-amine has a molecular weight of 526.64 g/mol, XLogP of 9.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,6-triphenyl-N-pyridin-3-ylindolo[2,3-b]indol-3-amine is sourced from PubChem (CID 146367048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).