8,8-dimethyl-5-naphthalen-1-yl-13-(4-phenylphenyl)indeno[1,2-a]anthracene

C45H32 — CID 140792227

IUPAC8,8-dimethyl-5-naphthalen-1-yl-13-(4-phenylphenyl)indeno[1,2-a]anthracene
SMILESCC1(C)c2ccccc2-c2c1ccc1c(-c3cccc4ccccc34)c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c21
InChIInChI=1S/C45H32/c1-45(2)39-22-11-10-20-37(39)43-40(45)28-27-38-42(34-21-12-16-31-15-6-7-17-33(31)34)36-19-9-8-18-35(36)41(44(38)43)32-25-23-30(24-26-32)29-13-4-3-5-14-29/h3-28H,1-2H3
InChIKeyHXLLGRLDGBJBLT-UHFFFAOYSA-N
MW572.75 g/mol
LogP12.45
Rot. Bonds3

About 8,8-dimethyl-5-naphthalen-1-yl-13-(4-phenylphenyl)indeno[1,2-a]anthracene

8,8-dimethyl-5-naphthalen-1-yl-13-(4-phenylphenyl)indeno[1,2-a]anthracene (PubChem CID 140792227) has the molecular formula C45H32 and a molecular weight of 572.75 g/mol. Its IUPAC name is 8,8-dimethyl-5-naphthalen-1-yl-13-(4-phenylphenyl)indeno[1,2-a]anthracene.

Molecular Properties

Compound Name8,8-dimethyl-5-naphthalen-1-yl-13-(4-phenylphenyl)indeno[1,2-a]anthracene
PubChem CID140792227
Molecular FormulaC45H32
Molecular Weight572.75 g/mol
Exact Mass572.25
IUPAC Name8,8-dimethyl-5-naphthalen-1-yl-13-(4-phenylphenyl)indeno[1,2-a]anthracene
SMILESCC1(C)c2ccccc2-c2c1ccc1c(-c3cccc4ccccc34)c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c21
InChIInChI=1S/C45H32/c1-45(2)39-22-11-10-20-37(39)43-40(45)28-27-38-42(34-21-12-16-31-15-6-7-17-33(31)34)36-19-9-8-18-35(36)41(44(38)43)32-25-23-30(24-26-32)29-13-4-3-5-14-29/h3-28H,1-2H3
InChIKeyHXLLGRLDGBJBLT-UHFFFAOYSA-N
XLogP12.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.75
LogP ≤ 512.45
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

7-naphthalen-1-yl-12-(4-phenylphenyl)benzo[a]anthracene
CID 58535980
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene
CID 159887994
10-naphthalen-1-yl-1,9-bis(4-phenylphenyl)anthracene
CID 58322889
9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-phenylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-2-yl-2-(10-phenylanthracen-9-yl)anthracene;12-naphthalen-2-yl-7-(4-naphthalen-2-ylphenyl)benzo[a]anthracene
CID 159327894
4-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 159232925
9,9,21,21-tetramethyl-6-naphthalen-1-ylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene
CID 171743014
14,14-dimethyl-9-naphthalen-1-yl-6-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 154948027
7,7-dimethyl-2-(10-phenylanthracen-9-yl)benzo[c]fluorene
CID 158971637
7,7-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 140725023
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 59195419
9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(4-phenylphenyl)anthracene
CID 59196543
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-dinaphthalen-1-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 165023412

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-5-naphthalen-1-yl-13-(4-phenylphenyl)indeno[1,2-a]anthracene?
The IUPAC name of 8,8-dimethyl-5-naphthalen-1-yl-13-(4-phenylphenyl)indeno[1,2-a]anthracene (CID 140792227) is 8,8-dimethyl-5-naphthalen-1-yl-13-(4-phenylphenyl)indeno[1,2-a]anthracene.
What is the SMILES notation for 8,8-dimethyl-5-naphthalen-1-yl-13-(4-phenylphenyl)indeno[1,2-a]anthracene?
The canonical SMILES for 8,8-dimethyl-5-naphthalen-1-yl-13-(4-phenylphenyl)indeno[1,2-a]anthracene is CC1(C)c2ccccc2-c2c1ccc1c(-c3cccc4ccccc34)c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c21.
What is the InChIKey of 8,8-dimethyl-5-naphthalen-1-yl-13-(4-phenylphenyl)indeno[1,2-a]anthracene?
The InChIKey is HXLLGRLDGBJBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32/c1-45(2)39-22-11-10-20-37(39)43-40(45)28-27-38-42(34-21-12-16-31-15-6-7-17-33(31)34)36-19-9-8-18-35(36)41(44(38)43)32-25-23-30(24-26-32)29-13-4-3-5-14-29/h3-28H,1-2H3.
What are the key properties of 8,8-dimethyl-5-naphthalen-1-yl-13-(4-phenylphenyl)indeno[1,2-a]anthracene?
8,8-dimethyl-5-naphthalen-1-yl-13-(4-phenylphenyl)indeno[1,2-a]anthracene has a molecular weight of 572.75 g/mol, XLogP of 12.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-5-naphthalen-1-yl-13-(4-phenylphenyl)indeno[1,2-a]anthracene is sourced from PubChem (CID 140792227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).