9-(9,9-dimethylfluoren-3-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene

C46H34O — CID 59196077

IUPAC9-(9,9-dimethylfluoren-3-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene
SMILESCOc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C4(C)C)c3cc(-c4cccc5ccccc45)ccc23)cc1
InChIInChI=1S/C46H34O/c1-46(2)42-18-9-8-14-36(42)40-28-32(22-26-43(40)46)45-38-16-7-6-15-37(38)44(30-19-23-33(47-3)24-20-30)39-25-21-31(27-41(39)45)35-17-10-12-29-11-4-5-13-34(29)35/h4-28H,1-3H3
InChIKeyWVCANZCFRZUDQR-UHFFFAOYSA-N
MW602.78 g/mol
LogP12.46
Rot. Bonds4

About 9-(9,9-dimethylfluoren-3-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene

9-(9,9-dimethylfluoren-3-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene (PubChem CID 59196077) has the molecular formula C46H34O and a molecular weight of 602.78 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-3-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-3-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene
PubChem CID59196077
Molecular FormulaC46H34O
Molecular Weight602.78 g/mol
Exact Mass602.26
IUPAC Name9-(9,9-dimethylfluoren-3-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene
SMILESCOc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C4(C)C)c3cc(-c4cccc5ccccc45)ccc23)cc1
InChIInChI=1S/C46H34O/c1-46(2)42-18-9-8-14-36(42)40-28-32(22-26-43(40)46)45-38-16-7-6-15-37(38)44(30-19-23-33(47-3)24-20-30)39-25-21-31(27-41(39)45)35-17-10-12-29-11-4-5-13-34(29)35/h4-28H,1-3H3
InChIKeyWVCANZCFRZUDQR-UHFFFAOYSA-N
XLogP12.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.78
LogP ≤ 512.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9-(9,9-dimethylfluoren-3-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 59196012
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 59195419
14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-1-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175465
2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracene;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(3-naphthalen-2-ylphenyl)anthracene;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-1-ylphenyl)anthracene
CID 161493004
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 59196621
2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10-dimethylphenazine
CID 59194690
9-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-ylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]fluoranthene
CID 160542211
9,10-bis(4-methoxyphenyl)-2-naphthalen-1-yl-6-naphthalen-2-ylanthracene
CID 59002245
4-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]pyridine
CID 59194825
14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-(2-naphthalen-1-ylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175514
9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene
CID 59195155
2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]pyrazine
CID 59196063

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-3-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene?
The IUPAC name of 9-(9,9-dimethylfluoren-3-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene (CID 59196077) is 9-(9,9-dimethylfluoren-3-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene.
What is the SMILES notation for 9-(9,9-dimethylfluoren-3-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene?
The canonical SMILES for 9-(9,9-dimethylfluoren-3-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene is COc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C4(C)C)c3cc(-c4cccc5ccccc45)ccc23)cc1.
What is the InChIKey of 9-(9,9-dimethylfluoren-3-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene?
The InChIKey is WVCANZCFRZUDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34O/c1-46(2)42-18-9-8-14-36(42)40-28-32(22-26-43(40)46)45-38-16-7-6-15-37(38)44(30-19-23-33(47-3)24-20-30)39-25-21-31(27-41(39)45)35-17-10-12-29-11-4-5-13-34(29)35/h4-28H,1-3H3.
What are the key properties of 9-(9,9-dimethylfluoren-3-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene?
9-(9,9-dimethylfluoren-3-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene has a molecular weight of 602.78 g/mol, XLogP of 12.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-3-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene is sourced from PubChem (CID 59196077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).