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

C45H28N2 — CID 145180592

IUPAC6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indolo[1,2-a]quinoxaline
SMILESc1ccc2c(-c3c4ccccc4c(-c4ccc(-c5nc6ccccc6n6c5cc5ccccc56)cc4)c4ccccc34)cccc2c1
InChIInChI=1S/C45H28N2/c1-3-15-33-29(12-1)14-11-20-34(33)44-37-18-6-4-16-35(37)43(36-17-5-7-19-38(36)44)30-24-26-31(27-25-30)45-42-28-32-13-2-9-22-40(32)47(42)41-23-10-8-21-39(41)46-45/h1-28H
InChIKeyLHQMAYFXEVNYMS-UHFFFAOYSA-N
MW596.73 g/mol
LogP12.10
Rot. Bonds3

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

6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indolo[1,2-a]quinoxaline (PubChem CID 145180592) has the molecular formula C45H28N2 and a molecular weight of 596.73 g/mol. Its IUPAC name is 6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indolo[1,2-a]quinoxaline
PubChem CID145180592
Molecular FormulaC45H28N2
Molecular Weight596.73 g/mol
Exact Mass596.23
IUPAC Name6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indolo[1,2-a]quinoxaline
SMILESc1ccc2c(-c3c4ccccc4c(-c4ccc(-c5nc6ccccc6n6c5cc5ccccc56)cc4)c4ccccc34)cccc2c1
InChIInChI=1S/C45H28N2/c1-3-15-33-29(12-1)14-11-20-34(33)44-37-18-6-4-16-35(37)43(36-17-5-7-19-38(36)44)30-24-26-31(27-25-30)45-42-28-32-13-2-9-22-40(32)47(42)41-23-10-8-21-39(41)46-45/h1-28H
InChIKeyLHQMAYFXEVNYMS-UHFFFAOYSA-N
XLogP12.10
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.73
LogP ≤ 512.10
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

2,3-bis[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]quinoxaline
CID 89281033
6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline
CID 145180197
6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[1,2-a]quinoxaline
CID 145180162
13-(10-naphthalen-1-ylanthracen-9-yl)-3,10,18-triazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-1(25),2,4,6,8,11(16),12,14,17,19,21,23-dodecaene
CID 89392139
6-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[1,2-a]quinoxaline
CID 145180375
5-(4-naphthalen-1-ylphenyl)benzimidazolo[1,2-a]quinazoline
CID 134222641
6-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[1,2-a]quinoxaline
CID 145180354
9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene
CID 123682471
10-naphthalen-1-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 58038272
1-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]-2-(1,1,2,2,2-pentadeuterioethyl)benzimidazole
CID 169071917
15-(4-indolo[1,2-a]quinoxalin-6-ylphenyl)-25-phenyl-5-thia-15,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene
CID 145180265
9-naphthalen-1-yl-10-[3-[3-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphthalen-2-yl]phenyl]anthracene
CID 168786911

Frequently Asked Questions

What is the IUPAC name of 6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indolo[1,2-a]quinoxaline?
The IUPAC name of 6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indolo[1,2-a]quinoxaline (CID 145180592) is 6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indolo[1,2-a]quinoxaline.
What is the SMILES notation for 6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indolo[1,2-a]quinoxaline?
The canonical SMILES for 6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indolo[1,2-a]quinoxaline is c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5nc6ccccc6n6c5cc5ccccc56)cc4)c4ccccc34)cccc2c1.
What is the InChIKey of 6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indolo[1,2-a]quinoxaline?
The InChIKey is LHQMAYFXEVNYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N2/c1-3-15-33-29(12-1)14-11-20-34(33)44-37-18-6-4-16-35(37)43(36-17-5-7-19-38(36)44)30-24-26-31(27-25-30)45-42-28-32-13-2-9-22-40(32)47(42)41-23-10-8-21-39(41)46-45/h1-28H.
What are the key properties of 6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indolo[1,2-a]quinoxaline?
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indolo[1,2-a]quinoxaline has a molecular weight of 596.73 g/mol, XLogP of 12.10, 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-1-ylanthracen-9-yl)phenyl]indolo[1,2-a]quinoxaline is sourced from PubChem (CID 145180592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).