7,7-dimethyl-5-[2-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene

C55H38 — CID 91082381

IUPAC7,7-dimethyl-5-[2-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
SMILESCC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3cccc(-c4ccccc4)c3)c3ccc(-c4cccc5ccccc45)cc13)c1ccccc21
InChIInChI=1S/C55H38/c1-55(2)50-29-13-12-27-47(50)54-43-24-9-8-23-42(43)49(34-51(54)55)53-45-26-11-10-25-44(45)52(39-21-14-20-37(32-39)35-16-4-3-5-17-35)46-31-30-38(33-48(46)53)41-28-15-19-36-18-6-7-22-40(36)41/h3-34H,1-2H3
InChIKeyAXZUCLISWOGUHH-UHFFFAOYSA-N
MW698.91 g/mol
LogP15.27
Rot. Bonds4

About 7,7-dimethyl-5-[2-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene

7,7-dimethyl-5-[2-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene (PubChem CID 91082381) has the molecular formula C55H38 and a molecular weight of 698.91 g/mol. Its IUPAC name is 7,7-dimethyl-5-[2-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene.

Molecular Properties

Compound Name7,7-dimethyl-5-[2-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
PubChem CID91082381
Molecular FormulaC55H38
Molecular Weight698.91 g/mol
Exact Mass698.30
IUPAC Name7,7-dimethyl-5-[2-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
SMILESCC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3cccc(-c4ccccc4)c3)c3ccc(-c4cccc5ccccc45)cc13)c1ccccc21
InChIInChI=1S/C55H38/c1-55(2)50-29-13-12-27-47(50)54-43-24-9-8-23-42(43)49(34-51(54)55)53-45-26-11-10-25-44(45)52(39-21-14-20-37(32-39)35-16-4-3-5-17-35)46-31-30-38(33-48(46)53)41-28-15-19-36-18-6-7-22-40(36)41/h3-34H,1-2H3
InChIKeyAXZUCLISWOGUHH-UHFFFAOYSA-N
XLogP15.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.91
LogP ≤ 515.27
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

7,7-dimethyl-5-(2-phenanthren-9-yl-10-phenylanthracen-9-yl)benzo[c]fluorene
CID 90769656
2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-4-yl)-10-(3-naphthalen-1-ylphenyl)anthracene
CID 59196314
9,10-bis(9,9-dimethylfluoren-2-yl)-2-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9,10-bis(9,9-dimethylfluoren-2-yl)-2-(4-phenylnaphthalen-1-yl)anthracene;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-1-yl-9,10-bis(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene;2-(4-phenylnaphthalen-1-yl)-9,10-bis(4-phenylphenyl)anthracene
CID 159207941
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 59195419
2-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-9-naphthalen-2-ylanthracene;10-naphthalen-1-yl-2,9-dinaphthalen-2-ylanthracene;2-naphthalen-1-yl-9-phenyl-10-(4-phenylphenyl)anthracene;2-(4-naphthalen-2-ylphenyl)-9-phenyl-10-(4-phenylphenyl)anthracene
CID 160521969
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-phenylanthracene;9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-(4-phenylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-10-naphthalen-2-yl-2-(10-phenylanthracen-9-yl)anthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene
CID 159934414
9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-(9,9-dimethylfluoren-4-yl)-2-methyl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 158036486
2,9-bis(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-phenylanthracene;2,9-dinaphthalen-1-yl-10-(4-phenylphenyl)anthracene
CID 160579929
2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene
CID 58323483
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 59196012
10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-9-phenylanthracene;2,10-dinaphthalen-1-yl-9-phenylanthracene;10-naphthalen-1-yl-2,9-diphenylanthracene;10-naphthalen-2-yl-2,9-diphenylanthracene;2-naphthalen-1-yl-10-naphthalen-2-yl-9-phenylanthracene;2-(10-phenanthren-9-ylanthracen-9-yl)-9,10-bis(4-phenylphenyl)anthracene
CID 159206127
2-(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene;9,10-diphenyl-2-(4-phenylphenyl)anthracene;2-(4-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;2-phenanthren-9-yl-9,10-diphenylanthracene
CID 161191738

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-[2-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene?
The IUPAC name of 7,7-dimethyl-5-[2-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene (CID 91082381) is 7,7-dimethyl-5-[2-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene.
What is the SMILES notation for 7,7-dimethyl-5-[2-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene?
The canonical SMILES for 7,7-dimethyl-5-[2-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene is CC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3cccc(-c4ccccc4)c3)c3ccc(-c4cccc5ccccc45)cc13)c1ccccc21.
What is the InChIKey of 7,7-dimethyl-5-[2-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene?
The InChIKey is AXZUCLISWOGUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38/c1-55(2)50-29-13-12-27-47(50)54-43-24-9-8-23-42(43)49(34-51(54)55)53-45-26-11-10-25-44(45)52(39-21-14-20-37(32-39)35-16-4-3-5-17-35)46-31-30-38(33-48(46)53)41-28-15-19-36-18-6-7-22-40(36)41/h3-34H,1-2H3.
What are the key properties of 7,7-dimethyl-5-[2-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene?
7,7-dimethyl-5-[2-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene has a molecular weight of 698.91 g/mol, XLogP of 15.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-[2-naphthalen-1-yl-10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene is sourced from PubChem (CID 91082381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).