2-phenyl-3-[3-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]phenanthro[9,10-d]imidazole

C44H28N4 — CID 126500750

IUPAC2-phenyl-3-[3-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]phenanthro[9,10-d]imidazole
SMILESc1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2cccc(-c3ccc4c(c3)c3cccnc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C44H28N4/c1-3-13-29(14-4-1)43-46-41-36-21-9-7-19-34(36)35-20-8-10-22-37(35)42(41)48(43)33-18-11-15-30(27-33)31-24-25-40-39(28-31)38-23-12-26-45-44(38)47(40)32-16-5-2-6-17-32/h1-28H
InChIKeyZCXGQZXSHBKXGX-UHFFFAOYSA-N
MW612.74 g/mol
LogP11.16
Rot. Bonds4

About 2-phenyl-3-[3-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]phenanthro[9,10-d]imidazole

2-phenyl-3-[3-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]phenanthro[9,10-d]imidazole (PubChem CID 126500750) has the molecular formula C44H28N4 and a molecular weight of 612.74 g/mol. Its IUPAC name is 2-phenyl-3-[3-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name2-phenyl-3-[3-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]phenanthro[9,10-d]imidazole
PubChem CID126500750
Molecular FormulaC44H28N4
Molecular Weight612.74 g/mol
Exact Mass612.23
IUPAC Name2-phenyl-3-[3-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]phenanthro[9,10-d]imidazole
SMILESc1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2cccc(-c3ccc4c(c3)c3cccnc3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C44H28N4/c1-3-13-29(14-4-1)43-46-41-36-21-9-7-19-34(36)35-20-8-10-22-37(35)42(41)48(43)33-18-11-15-30(27-33)31-24-25-40-39(28-31)38-23-12-26-45-44(38)47(40)32-16-5-2-6-17-32/h1-28H
InChIKeyZCXGQZXSHBKXGX-UHFFFAOYSA-N
XLogP11.16
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.74
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-3-[4-(9-phenylpyrido[2,3-b]indol-8-yl)phenyl]phenanthro[9,10-d]imidazole
CID 126500704
9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 159710225
9-(3-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-1-yl]pyrido[2,3-b]indole
CID 118586973
11-phenyl-12-[3-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole
CID 126500778
9-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 157472060
9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 118587653
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
CID 126494792
3-(4-methylphenyl)-2-phenylphenanthro[9,10-d]imidazole
CID 139176008
9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 129221443
9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 129221363
N-(4-phenylphenyl)-3-(9-phenylpyrido[2,3-b]indol-6-yl)aniline
CID 151073057
11-phenyl-12-[4-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole
CID 126500785

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[3-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]phenanthro[9,10-d]imidazole?
The IUPAC name of 2-phenyl-3-[3-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]phenanthro[9,10-d]imidazole (CID 126500750) is 2-phenyl-3-[3-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]phenanthro[9,10-d]imidazole.
What is the SMILES notation for 2-phenyl-3-[3-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]phenanthro[9,10-d]imidazole?
The canonical SMILES for 2-phenyl-3-[3-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]phenanthro[9,10-d]imidazole is c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2cccc(-c3ccc4c(c3)c3cccnc3n4-c3ccccc3)c2)cc1.
What is the InChIKey of 2-phenyl-3-[3-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]phenanthro[9,10-d]imidazole?
The InChIKey is ZCXGQZXSHBKXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4/c1-3-13-29(14-4-1)43-46-41-36-21-9-7-19-34(36)35-20-8-10-22-37(35)42(41)48(43)33-18-11-15-30(27-33)31-24-25-40-39(28-31)38-23-12-26-45-44(38)47(40)32-16-5-2-6-17-32/h1-28H.
What are the key properties of 2-phenyl-3-[3-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]phenanthro[9,10-d]imidazole?
2-phenyl-3-[3-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]phenanthro[9,10-d]imidazole has a molecular weight of 612.74 g/mol, XLogP of 11.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[3-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]phenanthro[9,10-d]imidazole is sourced from PubChem (CID 126500750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).