3-N-benzyl-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,9-diphenylpyrrolo[2,3-b]carbazole-2,3-diamine

C54H39N7 — CID 144645900

IUPAC3-N-benzyl-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,9-diphenylpyrrolo[2,3-b]carbazole-2,3-diamine
SMILESNc1c(N(Cc2ccccc2)c2ccccc2)c2cc3c4ccccc4n(-c4ccccc4)c3cc2n1-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C54H39N7/c55-51-50(59(41-26-12-4-13-27-41)36-37-19-6-1-7-20-37)46-34-45-44-31-16-17-32-47(44)60(42-28-14-5-15-29-42)48(45)35-49(46)61(51)43-30-18-25-40(33-43)54-57-52(38-21-8-2-9-22-38)56-53(58-54)39-23-10-3-11-24-39/h1-35H,36,55H2
InChIKeyANEOBXFKGICTQA-UHFFFAOYSA-N
MW785.96 g/mol
LogP12.83
Rot. Bonds9

About 3-N-benzyl-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,9-diphenylpyrrolo[2,3-b]carbazole-2,3-diamine

3-N-benzyl-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,9-diphenylpyrrolo[2,3-b]carbazole-2,3-diamine (PubChem CID 144645900) has the molecular formula C54H39N7 and a molecular weight of 785.96 g/mol. Its IUPAC name is 3-N-benzyl-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,9-diphenylpyrrolo[2,3-b]carbazole-2,3-diamine.

Molecular Properties

Compound Name3-N-benzyl-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,9-diphenylpyrrolo[2,3-b]carbazole-2,3-diamine
PubChem CID144645900
Molecular FormulaC54H39N7
Molecular Weight785.96 g/mol
Exact Mass785.33
IUPAC Name3-N-benzyl-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,9-diphenylpyrrolo[2,3-b]carbazole-2,3-diamine
SMILESNc1c(N(Cc2ccccc2)c2ccccc2)c2cc3c4ccccc4n(-c4ccccc4)c3cc2n1-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C54H39N7/c55-51-50(59(41-26-12-4-13-27-41)36-37-19-6-1-7-20-37)46-34-45-44-31-16-17-32-47(44)60(42-28-14-5-15-29-42)48(45)35-49(46)61(51)43-30-18-25-40(33-43)54-57-52(38-21-8-2-9-22-38)56-53(58-54)39-23-10-3-11-24-39/h1-35H,36,55H2
InChIKeyANEOBXFKGICTQA-UHFFFAOYSA-N
XLogP12.83
TPSA77.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.96
LogP ≤ 512.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-N-benzyl-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,9-diphenylpyrrolo[2,3-b]carbazole-2,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-amino-3-(N-benzylanilino)-1-phenylpyrrolo[2,3-b]carbazol-9-yl]benzenecarboximidamide
CID 144646003
5-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014900
5-[4-[4-(3-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 162362546
5-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 126580236
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 121385500
5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 118508799
5-[3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 139342074
2,7-di(carbazol-9-yl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146179701
7-phenyl-5-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 164800029
25-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-11-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 140957385
5-[3-[4-(3-isocyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 166591978
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 158317836

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,9-diphenylpyrrolo[2,3-b]carbazole-2,3-diamine?
The IUPAC name of 3-N-benzyl-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,9-diphenylpyrrolo[2,3-b]carbazole-2,3-diamine (CID 144645900) is 3-N-benzyl-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,9-diphenylpyrrolo[2,3-b]carbazole-2,3-diamine.
What is the SMILES notation for 3-N-benzyl-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,9-diphenylpyrrolo[2,3-b]carbazole-2,3-diamine?
The canonical SMILES for 3-N-benzyl-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,9-diphenylpyrrolo[2,3-b]carbazole-2,3-diamine is Nc1c(N(Cc2ccccc2)c2ccccc2)c2cc3c4ccccc4n(-c4ccccc4)c3cc2n1-c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 3-N-benzyl-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,9-diphenylpyrrolo[2,3-b]carbazole-2,3-diamine?
The InChIKey is ANEOBXFKGICTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N7/c55-51-50(59(41-26-12-4-13-27-41)36-37-19-6-1-7-20-37)46-34-45-44-31-16-17-32-47(44)60(42-28-14-5-15-29-42)48(45)35-49(46)61(51)43-30-18-25-40(33-43)54-57-52(38-21-8-2-9-22-38)56-53(58-54)39-23-10-3-11-24-39/h1-35H,36,55H2.
What are the key properties of 3-N-benzyl-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,9-diphenylpyrrolo[2,3-b]carbazole-2,3-diamine?
3-N-benzyl-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,9-diphenylpyrrolo[2,3-b]carbazole-2,3-diamine has a molecular weight of 785.96 g/mol, XLogP of 12.83, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,9-diphenylpyrrolo[2,3-b]carbazole-2,3-diamine is sourced from PubChem (CID 144645900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).