9-chrysen-2-yl-6-naphthalen-2-ylindolo[3,2-b]quinoxaline

C42H25N3 — CID 162702063

IUPAC9-chrysen-2-yl-6-naphthalen-2-ylindolo[3,2-b]quinoxaline
SMILESc1ccc2cc(-n3c4ccc(-c5ccc6c(ccc7c8ccccc8ccc67)c5)cc4c4nc5ccccc5nc43)ccc2c1
InChIInChI=1S/C42H25N3/c1-2-9-28-24-32(18-13-26(28)7-1)45-40-22-17-30(25-37(40)41-42(45)44-39-12-6-5-11-38(39)43-41)29-15-19-34-31(23-29)16-21-35-33-10-4-3-8-27(33)14-20-36(34)35/h1-25H
InChIKeyFQLYCSZRECNQHU-UHFFFAOYSA-N
MW571.68 g/mol
LogP11.01
Rot. Bonds2

About 9-chrysen-2-yl-6-naphthalen-2-ylindolo[3,2-b]quinoxaline

9-chrysen-2-yl-6-naphthalen-2-ylindolo[3,2-b]quinoxaline (PubChem CID 162702063) has the molecular formula C42H25N3 and a molecular weight of 571.68 g/mol. Its IUPAC name is 9-chrysen-2-yl-6-naphthalen-2-ylindolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name9-chrysen-2-yl-6-naphthalen-2-ylindolo[3,2-b]quinoxaline
PubChem CID162702063
Molecular FormulaC42H25N3
Molecular Weight571.68 g/mol
Exact Mass571.20
IUPAC Name9-chrysen-2-yl-6-naphthalen-2-ylindolo[3,2-b]quinoxaline
SMILESc1ccc2cc(-n3c4ccc(-c5ccc6c(ccc7c8ccccc8ccc67)c5)cc4c4nc5ccccc5nc43)ccc2c1
InChIInChI=1S/C42H25N3/c1-2-9-28-24-32(18-13-26(28)7-1)45-40-22-17-30(25-37(40)41-42(45)44-39-12-6-5-11-38(39)43-41)29-15-19-34-31(23-29)16-21-35-33-10-4-3-8-27(33)14-20-36(34)35/h1-25H
InChIKeyFQLYCSZRECNQHU-UHFFFAOYSA-N
XLogP11.01
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.68
LogP ≤ 511.01
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

3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole
CID 177074724
9-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenylindolo[3,2-b]quinoxaline
CID 162702048
9-naphthalen-2-yl-3-(4-phenanthren-2-ylphenyl)-6-phenylcarbazole
CID 177074696
7-naphthalen-2-yl-2-phenanthren-2-ylbenzo[c]carbazole
CID 130351506
8-(3,5-diphenylphenyl)-6-(6-phenylnaphthalen-2-yl)indolo[3,2-b]quinoxaline
CID 162701995
6-(3,5-diphenylphenyl)-9-phenanthren-9-ylindolo[3,2-b]quinoxaline
CID 162702020
9-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)indolo[3,2-b]quinoxaline
CID 90336687
3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenanthren-2-ylcarbazole
CID 157051196
7-naphthalen-2-yl-10-(7-naphthalen-2-ylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 118919598
3-[9-(3-naphthalen-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenanthren-2-ylcarbazole
CID 146368758
ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 142515451
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

Frequently Asked Questions

What is the IUPAC name of 9-chrysen-2-yl-6-naphthalen-2-ylindolo[3,2-b]quinoxaline?
The IUPAC name of 9-chrysen-2-yl-6-naphthalen-2-ylindolo[3,2-b]quinoxaline (CID 162702063) is 9-chrysen-2-yl-6-naphthalen-2-ylindolo[3,2-b]quinoxaline.
What is the SMILES notation for 9-chrysen-2-yl-6-naphthalen-2-ylindolo[3,2-b]quinoxaline?
The canonical SMILES for 9-chrysen-2-yl-6-naphthalen-2-ylindolo[3,2-b]quinoxaline is c1ccc2cc(-n3c4ccc(-c5ccc6c(ccc7c8ccccc8ccc67)c5)cc4c4nc5ccccc5nc43)ccc2c1.
What is the InChIKey of 9-chrysen-2-yl-6-naphthalen-2-ylindolo[3,2-b]quinoxaline?
The InChIKey is FQLYCSZRECNQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N3/c1-2-9-28-24-32(18-13-26(28)7-1)45-40-22-17-30(25-37(40)41-42(45)44-39-12-6-5-11-38(39)43-41)29-15-19-34-31(23-29)16-21-35-33-10-4-3-8-27(33)14-20-36(34)35/h1-25H.
What are the key properties of 9-chrysen-2-yl-6-naphthalen-2-ylindolo[3,2-b]quinoxaline?
9-chrysen-2-yl-6-naphthalen-2-ylindolo[3,2-b]quinoxaline has a molecular weight of 571.68 g/mol, XLogP of 11.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chrysen-2-yl-6-naphthalen-2-ylindolo[3,2-b]quinoxaline is sourced from PubChem (CID 162702063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).