2-[10-[4-(2-methyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene

C46H30 — CID 167712192

IUPAC2-[10-[4-(2-methyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene
SMILESCC1=Cc2ccccc2C1c1ccc(-c2c3ccccc3c(-c3cc4c5c(cccc5c3)-c3ccccc3-4)c3ccccc23)cc1
InChIInChI=1S/C46H30/c1-28-25-31-11-2-3-13-34(31)43(28)29-21-23-30(24-22-29)44-38-16-6-8-18-40(38)46(41-19-9-7-17-39(41)44)33-26-32-12-10-20-37-35-14-4-5-15-36(35)42(27-33)45(32)37/h2-27,43H,1H3
InChIKeyHJOLQTGJWJKNIM-UHFFFAOYSA-N
MW582.75 g/mol
LogP12.68
Rot. Bonds3

About 2-[10-[4-(2-methyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene

2-[10-[4-(2-methyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene (PubChem CID 167712192) has the molecular formula C46H30 and a molecular weight of 582.75 g/mol. Its IUPAC name is 2-[10-[4-(2-methyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene.

Molecular Properties

Compound Name2-[10-[4-(2-methyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene
PubChem CID167712192
Molecular FormulaC46H30
Molecular Weight582.75 g/mol
Exact Mass582.23
IUPAC Name2-[10-[4-(2-methyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene
SMILESCC1=Cc2ccccc2C1c1ccc(-c2c3ccccc3c(-c3cc4c5c(cccc5c3)-c3ccccc3-4)c3ccccc23)cc1
InChIInChI=1S/C46H30/c1-28-25-31-11-2-3-13-34(31)43(28)29-21-23-30(24-22-29)44-38-16-6-8-18-40(38)46(41-19-9-7-17-39(41)44)33-26-32-12-10-20-37-35-14-4-5-15-36(35)42(27-33)45(32)37/h2-27,43H,1H3
InChIKeyHJOLQTGJWJKNIM-UHFFFAOYSA-N
XLogP12.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.75
LogP ≤ 512.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]fluoranthene
CID 167660358
2-[3-[10-(2-ethyl-1H-inden-1-yl)anthracen-9-yl]phenyl]fluoranthene
CID 167635301
2-[10-[3-(2-ethyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene
CID 167712194
9-naphthalen-2-yl-10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracene
CID 123993670
11,11-dimethyl-3-[10-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]anthracen-9-yl]benzo[b]fluorene
CID 159290426
2-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoranthene
CID 140801763
5-(9,10-diphenylanthracen-2-yl)-7,12-diphenylbenzo[k]fluoranthene
CID 58535149
11,11-dimethyl-3-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]benzo[b]fluorene;21,21-dimethyl-17-[10-[4-(2-phenyl-1H-inden-1-yl)phenyl]anthracen-9-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 162113284
9-fluoranthen-2-yl-3,7,12-triphenylbenzo[k]fluoranthene
CID 59326181
5-[4-(9,10-diphenylanthracen-2-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58535151
2,9-diphenylfluoranthene
CID 174565991
2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene
CID 140801800

Frequently Asked Questions

What is the IUPAC name of 2-[10-[4-(2-methyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene?
The IUPAC name of 2-[10-[4-(2-methyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene (CID 167712192) is 2-[10-[4-(2-methyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene.
What is the SMILES notation for 2-[10-[4-(2-methyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene?
The canonical SMILES for 2-[10-[4-(2-methyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene is CC1=Cc2ccccc2C1c1ccc(-c2c3ccccc3c(-c3cc4c5c(cccc5c3)-c3ccccc3-4)c3ccccc23)cc1.
What is the InChIKey of 2-[10-[4-(2-methyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene?
The InChIKey is HJOLQTGJWJKNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30/c1-28-25-31-11-2-3-13-34(31)43(28)29-21-23-30(24-22-29)44-38-16-6-8-18-40(38)46(41-19-9-7-17-39(41)44)33-26-32-12-10-20-37-35-14-4-5-15-36(35)42(27-33)45(32)37/h2-27,43H,1H3.
What are the key properties of 2-[10-[4-(2-methyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene?
2-[10-[4-(2-methyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene has a molecular weight of 582.75 g/mol, XLogP of 12.68, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-[4-(2-methyl-1H-inden-1-yl)phenyl]anthracen-9-yl]fluoranthene is sourced from PubChem (CID 167712192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).