7,7-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene

C45H32 — CID 140725023

IUPAC7,7-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene
SMILESCC1(C)c2cccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c2-c2c1ccc1ccccc21
InChIInChI=1S/C45H32/c1-45(2)39-22-12-21-34(43(39)44-33-16-7-6-13-29(33)27-28-40(44)45)30-23-25-32(26-24-30)42-37-19-10-8-17-35(37)41(31-14-4-3-5-15-31)36-18-9-11-20-38(36)42/h3-28H,1-2H3
InChIKeyITNUTSVEGYLJEL-UHFFFAOYSA-N
MW572.75 g/mol
LogP12.45
Rot. Bonds3

About 7,7-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene

7,7-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene (PubChem CID 140725023) has the molecular formula C45H32 and a molecular weight of 572.75 g/mol. Its IUPAC name is 7,7-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene.

Molecular Properties

Compound Name7,7-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene
PubChem CID140725023
Molecular FormulaC45H32
Molecular Weight572.75 g/mol
Exact Mass572.25
IUPAC Name7,7-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene
SMILESCC1(C)c2cccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c2-c2c1ccc1ccccc21
InChIInChI=1S/C45H32/c1-45(2)39-22-12-21-34(43(39)44-33-16-7-6-13-29(33)27-28-40(44)45)30-23-25-32(26-24-30)42-37-19-10-8-17-35(37)41(31-14-4-3-5-15-31)36-18-9-11-20-38(36)42/h3-28H,1-2H3
InChIKeyITNUTSVEGYLJEL-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

4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 146632096
7,7-dimethyl-11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 140724375
7,7-dimethyl-2-(10-phenylanthracen-9-yl)benzo[c]fluorene
CID 158971637
21,21-dimethyl-16-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 140724742
5-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]benzo[c]phenanthrene;7,7-dimethyl-11-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 161228304
4-[4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]naphthalen-1-yl]-6-(9,9-dimethylfluoren-4-yl)-2-phenylpyrimidine
CID 168779685
13,13-dimethyl-18,25-diphenyloctacyclo[14.14.1.02,14.03,12.04,9.017,26.019,24.027,31]hentriaconta-1(31),2(14),3(12),4,6,8,10,15,17,19,21,23,25,27,29-pentadecaene
CID 142347601
7,7-dimethyl-8-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 140724953
7,7-dimethyl-8-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene;7,7-dimethyl-8-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 161283904
2-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]dibenzofuran;7,7-dimethyl-11-[10-(3-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 157414315
4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine
CID 146633346
CID 159033851
CID 159033851

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene?
The IUPAC name of 7,7-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene (CID 140725023) is 7,7-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene.
What is the SMILES notation for 7,7-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene?
The canonical SMILES for 7,7-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene is CC1(C)c2cccc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)c2-c2c1ccc1ccccc21.
What is the InChIKey of 7,7-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene?
The InChIKey is ITNUTSVEGYLJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32/c1-45(2)39-22-12-21-34(43(39)44-33-16-7-6-13-29(33)27-28-40(44)45)30-23-25-32(26-24-30)42-37-19-10-8-17-35(37)41(31-14-4-3-5-15-31)36-18-9-11-20-38(36)42/h3-28H,1-2H3.
What are the key properties of 7,7-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene?
7,7-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene 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 7,7-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene is sourced from PubChem (CID 140725023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).