5-[4-[3-(1,10-phenanthrolin-4-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine

C76H50N8 — CID 135252595

IUPAC5-[4-[3-(1,10-phenanthrolin-4-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cnccc2n3-c2ccc(-c3cc(-c4ccc(-n5c6ccncc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4)cc(-c4ccnc5c4ccc4cccnc45)c3)cc2)cc1
InChIInChI=1S/C76H50N8/c1-5-15-57(16-6-1)81(58-17-7-2-8-18-58)63-32-35-71-67(47-63)69-49-77-41-38-73(69)83(71)61-28-23-51(24-29-61)54-44-55(46-56(45-54)65-37-43-80-76-66(65)34-27-53-14-13-40-79-75(53)76)52-25-30-62(31-26-52)84-72-36-33-64(48-68(72)70-50-78-42-39-74(70)84)82(59-19-9-3-10-20-59)60-21-11-4-12-22-60/h1-50H
InChIKeyBETMSTLDMPLIAA-UHFFFAOYSA-N
MW1075.29 g/mol
LogP19.71
Rot. Bonds11

About 5-[4-[3-(1,10-phenanthrolin-4-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine

5-[4-[3-(1,10-phenanthrolin-4-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine (PubChem CID 135252595) has the molecular formula C76H50N8 and a molecular weight of 1075.29 g/mol. Its IUPAC name is 5-[4-[3-(1,10-phenanthrolin-4-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine.

Molecular Properties

Compound Name5-[4-[3-(1,10-phenanthrolin-4-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine
PubChem CID135252595
Molecular FormulaC76H50N8
Molecular Weight1075.29 g/mol
Exact Mass1074.42
IUPAC Name5-[4-[3-(1,10-phenanthrolin-4-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)c2cnccc2n3-c2ccc(-c3cc(-c4ccc(-n5c6ccncc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4)cc(-c4ccnc5c4ccc4cccnc45)c3)cc2)cc1
InChIInChI=1S/C76H50N8/c1-5-15-57(16-6-1)81(58-17-7-2-8-18-58)63-32-35-71-67(47-63)69-49-77-41-38-73(69)83(71)61-28-23-51(24-29-61)54-44-55(46-56(45-54)65-37-43-80-76-66(65)34-27-53-14-13-40-79-75(53)76)52-25-30-62(31-26-52)84-72-36-33-64(48-68(72)70-50-78-42-39-74(70)84)82(59-19-9-3-10-20-59)60-21-11-4-12-22-60/h1-50H
InChIKeyBETMSTLDMPLIAA-UHFFFAOYSA-N
XLogP19.71
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001075.29
LogP ≤ 519.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-[4-[3-(1,10-phenanthrolin-4-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(1,10-phenanthrolin-4-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine?
The IUPAC name of 5-[4-[3-(1,10-phenanthrolin-4-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine (CID 135252595) is 5-[4-[3-(1,10-phenanthrolin-4-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine.
What is the SMILES notation for 5-[4-[3-(1,10-phenanthrolin-4-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine?
The canonical SMILES for 5-[4-[3-(1,10-phenanthrolin-4-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine is c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cnccc2n3-c2ccc(-c3cc(-c4ccc(-n5c6ccncc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4)cc(-c4ccnc5c4ccc4cccnc45)c3)cc2)cc1.
What is the InChIKey of 5-[4-[3-(1,10-phenanthrolin-4-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine?
The InChIKey is BETMSTLDMPLIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H50N8/c1-5-15-57(16-6-1)81(58-17-7-2-8-18-58)63-32-35-71-67(47-63)69-49-77-41-38-73(69)83(71)61-28-23-51(24-29-61)54-44-55(46-56(45-54)65-37-43-80-76-66(65)34-27-53-14-13-40-79-75(53)76)52-25-30-62(31-26-52)84-72-36-33-64(48-68(72)70-50-78-42-39-74(70)84)82(59-19-9-3-10-20-59)60-21-11-4-12-22-60/h1-50H.
What are the key properties of 5-[4-[3-(1,10-phenanthrolin-4-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine?
5-[4-[3-(1,10-phenanthrolin-4-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine has a molecular weight of 1075.29 g/mol, XLogP of 19.71, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(1,10-phenanthrolin-4-yl)-5-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]phenyl]-N,N-diphenylpyrido[4,3-b]indol-8-amine is sourced from PubChem (CID 135252595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).