6-(3,5-diphenylphenyl)-9-phenanthren-9-ylindolo[3,2-b]quinoxaline

C46H29N3 — CID 162702020

IUPAC6-(3,5-diphenylphenyl)-9-phenanthren-9-ylindolo[3,2-b]quinoxaline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccc(-c5cc6ccccc6c6ccccc56)cc4c4nc5ccccc5nc43)c2)cc1
InChIInChI=1S/C46H29N3/c1-3-13-30(14-4-1)34-25-35(31-15-5-2-6-16-31)27-36(26-34)49-44-24-23-33(29-41(44)45-46(49)48-43-22-12-11-21-42(43)47-45)40-28-32-17-7-8-18-37(32)38-19-9-10-20-39(38)40/h1-29H
InChIKeyXOONUCXDQVPTBS-UHFFFAOYSA-N
MW623.76 g/mol
LogP12.03
Rot. Bonds4

About 6-(3,5-diphenylphenyl)-9-phenanthren-9-ylindolo[3,2-b]quinoxaline

6-(3,5-diphenylphenyl)-9-phenanthren-9-ylindolo[3,2-b]quinoxaline (PubChem CID 162702020) has the molecular formula C46H29N3 and a molecular weight of 623.76 g/mol. Its IUPAC name is 6-(3,5-diphenylphenyl)-9-phenanthren-9-ylindolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name6-(3,5-diphenylphenyl)-9-phenanthren-9-ylindolo[3,2-b]quinoxaline
PubChem CID162702020
Molecular FormulaC46H29N3
Molecular Weight623.76 g/mol
Exact Mass623.24
IUPAC Name6-(3,5-diphenylphenyl)-9-phenanthren-9-ylindolo[3,2-b]quinoxaline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccc(-c5cc6ccccc6c6ccccc56)cc4c4nc5ccccc5nc43)c2)cc1
InChIInChI=1S/C46H29N3/c1-3-13-30(14-4-1)34-25-35(31-15-5-2-6-16-31)27-36(26-34)49-44-24-23-33(29-41(44)45-46(49)48-43-22-12-11-21-42(43)47-45)40-28-32-17-7-8-18-37(32)38-19-9-10-20-39(38)40/h1-29H
InChIKeyXOONUCXDQVPTBS-UHFFFAOYSA-N
XLogP12.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.76
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenylindolo[3,2-b]quinoxaline
CID 162702048
9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-ylphenyl)carbazole
CID 118531170
9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)carbazole
CID 118531280
9-[3,5-di(phenanthren-9-yl)phenyl]-3,6-bis(4-phenylphenyl)carbazole;ethane
CID 144963563
9-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)indolo[3,2-b]quinoxaline
CID 90336687
6,9-bis(3,5-diphenylphenyl)indolo[3,2-b]quinoxaline;9-(3,5-diphenylphenyl)-6-(5-phenylnaphthalen-2-yl)indolo[3,2-b]quinoxaline;9-(3,5-diphenylphenyl)-6-(6-phenyl-2-pyridinyl)indolo[3,2-b]quinoxaline
CID 163911559
9-chrysen-2-yl-6-naphthalen-2-ylindolo[3,2-b]quinoxaline
CID 162702063
9-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)carbazole;9-[3-(4-carbazol-9-ylphenyl)-5-(4-phenylphenyl)phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159689143
9-[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenanthren-9-ylphenyl]carbazole
CID 139500830
3-[9-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole
CID 88559224
9-[6-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)-4-phenyl-2-pyridinyl]carbazole
CID 139500868
9-[3-(6-phenanthren-9-yl-4-phenyl-2-pyridinyl)-5-triphenylen-2-ylphenyl]-2-phenylcarbazole
CID 139500855

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-diphenylphenyl)-9-phenanthren-9-ylindolo[3,2-b]quinoxaline?
The IUPAC name of 6-(3,5-diphenylphenyl)-9-phenanthren-9-ylindolo[3,2-b]quinoxaline (CID 162702020) is 6-(3,5-diphenylphenyl)-9-phenanthren-9-ylindolo[3,2-b]quinoxaline.
What is the SMILES notation for 6-(3,5-diphenylphenyl)-9-phenanthren-9-ylindolo[3,2-b]quinoxaline?
The canonical SMILES for 6-(3,5-diphenylphenyl)-9-phenanthren-9-ylindolo[3,2-b]quinoxaline is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccc(-c5cc6ccccc6c6ccccc56)cc4c4nc5ccccc5nc43)c2)cc1.
What is the InChIKey of 6-(3,5-diphenylphenyl)-9-phenanthren-9-ylindolo[3,2-b]quinoxaline?
The InChIKey is XOONUCXDQVPTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3/c1-3-13-30(14-4-1)34-25-35(31-15-5-2-6-16-31)27-36(26-34)49-44-24-23-33(29-41(44)45-46(49)48-43-22-12-11-21-42(43)47-45)40-28-32-17-7-8-18-37(32)38-19-9-10-20-39(38)40/h1-29H.
What are the key properties of 6-(3,5-diphenylphenyl)-9-phenanthren-9-ylindolo[3,2-b]quinoxaline?
6-(3,5-diphenylphenyl)-9-phenanthren-9-ylindolo[3,2-b]quinoxaline has a molecular weight of 623.76 g/mol, XLogP of 12.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-diphenylphenyl)-9-phenanthren-9-ylindolo[3,2-b]quinoxaline is sourced from PubChem (CID 162702020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).