2-phenyl-3-[4-(9-phenylpyrido[2,3-b]indol-8-yl)phenyl]phenanthro[9,10-d]imidazole

C44H28N4 — CID 126500704

IUPAC2-phenyl-3-[4-(9-phenylpyrido[2,3-b]indol-8-yl)phenyl]phenanthro[9,10-d]imidazole
SMILESc1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc(-c3cccc4c5cccnc5n(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C44H28N4/c1-3-13-30(14-4-1)43-46-40-36-19-9-7-17-34(36)35-18-8-10-20-37(35)42(40)48(43)32-26-24-29(25-27-32)33-21-11-22-38-39-23-12-28-45-44(39)47(41(33)38)31-15-5-2-6-16-31/h1-28H
InChIKeySPOCIDQDFXFUBG-UHFFFAOYSA-N
MW612.74 g/mol
LogP11.16
Rot. Bonds4

About 2-phenyl-3-[4-(9-phenylpyrido[2,3-b]indol-8-yl)phenyl]phenanthro[9,10-d]imidazole

2-phenyl-3-[4-(9-phenylpyrido[2,3-b]indol-8-yl)phenyl]phenanthro[9,10-d]imidazole (PubChem CID 126500704) has the molecular formula C44H28N4 and a molecular weight of 612.74 g/mol. Its IUPAC name is 2-phenyl-3-[4-(9-phenylpyrido[2,3-b]indol-8-yl)phenyl]phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name2-phenyl-3-[4-(9-phenylpyrido[2,3-b]indol-8-yl)phenyl]phenanthro[9,10-d]imidazole
PubChem CID126500704
Molecular FormulaC44H28N4
Molecular Weight612.74 g/mol
Exact Mass612.23
IUPAC Name2-phenyl-3-[4-(9-phenylpyrido[2,3-b]indol-8-yl)phenyl]phenanthro[9,10-d]imidazole
SMILESc1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc(-c3cccc4c5cccnc5n(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C44H28N4/c1-3-13-30(14-4-1)43-46-40-36-19-9-7-17-34(36)35-18-8-10-20-37(35)42(40)48(43)32-26-24-29(25-27-32)33-21-11-22-38-39-23-12-28-45-44(39)47(41(33)38)31-15-5-2-6-16-31/h1-28H
InChIKeySPOCIDQDFXFUBG-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-[3-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]phenanthro[9,10-d]imidazole
CID 126500750
8-[4-(2-phenylphenanthro[9,10-d]imidazol-3-yl)phenyl]-[1]benzothiolo[2,3-b]pyridine
CID 126500698
3-(4-methylphenyl)-2-phenylphenanthro[9,10-d]imidazole
CID 139176008
11-phenyl-12-[4-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole
CID 126500785
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 129221371
2-(4-ethenylphenyl)-3-phenylphenanthro[9,10-d]imidazole
CID 174682704
11-phenyl-12-[3-[2-(4-phenylphenyl)phenanthro[9,10-d]imidazol-3-yl]phenyl]indolo[2,3-a]carbazole
CID 126500778
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylphenanthro[9,10-d]imidazole
CID 126494792
7-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-1-yl]-9-phenylpyrido[2,3-b]indole
CID 118587665
5-(4-methylphenyl)-4-phenyl-3,5,9-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),3,7(12),8,10,13,15-octaene
CID 129269074
2-[4-[4-(2,6-diphenyl-[1,3,5]triazino[2,1-a]isoindol-4-yl)phenyl]phenyl]-3-phenylphenanthro[9,10-d]imidazole
CID 169053732
9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 129221363

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[4-(9-phenylpyrido[2,3-b]indol-8-yl)phenyl]phenanthro[9,10-d]imidazole?
The IUPAC name of 2-phenyl-3-[4-(9-phenylpyrido[2,3-b]indol-8-yl)phenyl]phenanthro[9,10-d]imidazole (CID 126500704) is 2-phenyl-3-[4-(9-phenylpyrido[2,3-b]indol-8-yl)phenyl]phenanthro[9,10-d]imidazole.
What is the SMILES notation for 2-phenyl-3-[4-(9-phenylpyrido[2,3-b]indol-8-yl)phenyl]phenanthro[9,10-d]imidazole?
The canonical SMILES for 2-phenyl-3-[4-(9-phenylpyrido[2,3-b]indol-8-yl)phenyl]phenanthro[9,10-d]imidazole is c1ccc(-c2nc3c4ccccc4c4ccccc4c3n2-c2ccc(-c3cccc4c5cccnc5n(-c5ccccc5)c34)cc2)cc1.
What is the InChIKey of 2-phenyl-3-[4-(9-phenylpyrido[2,3-b]indol-8-yl)phenyl]phenanthro[9,10-d]imidazole?
The InChIKey is SPOCIDQDFXFUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4/c1-3-13-30(14-4-1)43-46-40-36-19-9-7-17-34(36)35-18-8-10-20-37(35)42(40)48(43)32-26-24-29(25-27-32)33-21-11-22-38-39-23-12-28-45-44(39)47(41(33)38)31-15-5-2-6-16-31/h1-28H.
What are the key properties of 2-phenyl-3-[4-(9-phenylpyrido[2,3-b]indol-8-yl)phenyl]phenanthro[9,10-d]imidazole?
2-phenyl-3-[4-(9-phenylpyrido[2,3-b]indol-8-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-[4-(9-phenylpyrido[2,3-b]indol-8-yl)phenyl]phenanthro[9,10-d]imidazole is sourced from PubChem (CID 126500704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).