6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2,3-dihydroindolo[1,2-a]quinoxaline

C45H30N2 — CID 145180264

IUPAC6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2,3-dihydroindolo[1,2-a]quinoxaline
SMILESC1=c2nc(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)c3cc4ccccc4n3c2=CCC1
InChIInChI=1S/C45H30N2/c1-2-12-32-27-34(26-21-29(32)11-1)44-37-16-6-4-14-35(37)43(36-15-5-7-17-38(36)44)30-22-24-31(25-23-30)45-42-28-33-13-3-9-19-40(33)47(42)41-20-10-8-18-39(41)46-45/h1-7,9,11-28H,8,10H2
InChIKeySIUKNGKAQRRPRW-UHFFFAOYSA-N
MW598.75 g/mol
LogP10.30
Rot. Bonds3

About 6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2,3-dihydroindolo[1,2-a]quinoxaline

6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2,3-dihydroindolo[1,2-a]quinoxaline (PubChem CID 145180264) has the molecular formula C45H30N2 and a molecular weight of 598.75 g/mol. Its IUPAC name is 6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2,3-dihydroindolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2,3-dihydroindolo[1,2-a]quinoxaline
PubChem CID145180264
Molecular FormulaC45H30N2
Molecular Weight598.75 g/mol
Exact Mass598.24
IUPAC Name6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2,3-dihydroindolo[1,2-a]quinoxaline
SMILESC1=c2nc(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)c3cc4ccccc4n3c2=CCC1
InChIInChI=1S/C45H30N2/c1-2-12-32-27-34(26-21-29(32)11-1)44-37-16-6-4-14-35(37)43(36-15-5-7-17-38(36)44)30-22-24-31(25-23-30)45-42-28-33-13-3-9-19-40(33)47(42)41-20-10-8-18-39(41)46-45/h1-7,9,11-28H,8,10H2
InChIKeySIUKNGKAQRRPRW-UHFFFAOYSA-N
XLogP10.30
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.75
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indolo[1,2-a]quinoxaline
CID 145180592
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
4-(10-naphthalen-2-ylanthracen-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 134252656
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
3-[10-(4-cyclohexa-1,5-dien-1-ylphenyl)anthracen-9-yl]benzimidazolo[1,2-a]quinoline
CID 175636623
9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene
CID 59523734
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9-naphthalen-2-yl-10-[5-(10-naphthalen-2-yl-2,3-dihydroanthracen-9-yl)naphthalen-1-yl]anthracene
CID 143539913

Frequently Asked Questions

What is the IUPAC name of 6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2,3-dihydroindolo[1,2-a]quinoxaline?
The IUPAC name of 6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2,3-dihydroindolo[1,2-a]quinoxaline (CID 145180264) is 6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2,3-dihydroindolo[1,2-a]quinoxaline.
What is the SMILES notation for 6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2,3-dihydroindolo[1,2-a]quinoxaline?
The canonical SMILES for 6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2,3-dihydroindolo[1,2-a]quinoxaline is C1=c2nc(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)c3cc4ccccc4n3c2=CCC1.
What is the InChIKey of 6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2,3-dihydroindolo[1,2-a]quinoxaline?
The InChIKey is SIUKNGKAQRRPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2/c1-2-12-32-27-34(26-21-29(32)11-1)44-37-16-6-4-14-35(37)43(36-15-5-7-17-38(36)44)30-22-24-31(25-23-30)45-42-28-33-13-3-9-19-40(33)47(42)41-20-10-8-18-39(41)46-45/h1-7,9,11-28H,8,10H2.
What are the key properties of 6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2,3-dihydroindolo[1,2-a]quinoxaline?
6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2,3-dihydroindolo[1,2-a]quinoxaline has a molecular weight of 598.75 g/mol, XLogP of 10.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2,3-dihydroindolo[1,2-a]quinoxaline is sourced from PubChem (CID 145180264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).