7,7-dimethyl-10-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene

C59H40 — CID 140724765

IUPAC7,7-dimethyl-10-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
SMILESCC1(C)c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6cc7ccccc7c7ccccc67)c5)c5ccccc45)c3)cc2-c2c1ccc1ccccc21
InChIInChI=1S/C59H40/c1-59(2)54-31-30-39(35-53(54)58-45-22-6-3-15-37(45)29-32-55(58)59)38-17-13-19-42(33-38)56-48-25-9-11-27-50(48)57(51-28-12-10-26-49(51)56)43-20-14-18-40(34-43)52-36-41-16-4-5-21-44(41)46-23-7-8-24-47(46)52/h3-36H,1-2H3
InChIKeyYJBYWKAGQDLSJX-UHFFFAOYSA-N
MW748.97 g/mol
LogP16.43
Rot. Bonds4

About 7,7-dimethyl-10-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene

7,7-dimethyl-10-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene (PubChem CID 140724765) has the molecular formula C59H40 and a molecular weight of 748.97 g/mol. Its IUPAC name is 7,7-dimethyl-10-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene.

Molecular Properties

Compound Name7,7-dimethyl-10-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
PubChem CID140724765
Molecular FormulaC59H40
Molecular Weight748.97 g/mol
Exact Mass748.31
IUPAC Name7,7-dimethyl-10-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
SMILESCC1(C)c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6cc7ccccc7c7ccccc67)c5)c5ccccc45)c3)cc2-c2c1ccc1ccccc21
InChIInChI=1S/C59H40/c1-59(2)54-31-30-39(35-53(54)58-45-22-6-3-15-37(45)29-32-55(58)59)38-17-13-19-42(33-38)56-48-25-9-11-27-50(48)57(51-28-12-10-26-49(51)56)43-20-14-18-40(34-43)52-36-41-16-4-5-21-44(41)46-23-7-8-24-47(46)52/h3-36H,1-2H3
InChIKeyYJBYWKAGQDLSJX-UHFFFAOYSA-N
XLogP16.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.97
LogP ≤ 516.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7,7-dimethyl-10-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene;7,7-dimethyl-10-[4-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 161066800
7,7-dimethyl-10-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 140724252
4-[10-[3-(7,7-dimethylbenzo[c]fluoren-10-yl)phenyl]anthracen-9-yl]benzo[a]anthracene
CID 140724335
7,7-dimethyl-10-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]benzo[c]fluorene;7,7-dimethyl-10-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 157086899
21,21-dimethyl-17-[3-[10-(4-naphthalen-2-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(20),16,18-decaene;21,21-dimethyl-17-[3-[10-(3-phenanthren-9-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(20),16,18-decaene
CID 159352968
4-[10-(7,7-dimethylbenzo[c]fluoren-10-yl)anthracen-9-yl]dibenzofuran;7,7-dimethyl-10-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-10-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 158906076
2-(7,7-dimethylbenzo[c]fluoren-10-yl)-8-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran
CID 121421003
11,11-dimethyl-8-(10-phenanthren-3-ylanthracen-9-yl)benzo[a]fluorene;7,7-dimethyl-10-(10-phenanthren-3-ylanthracen-9-yl)benzo[c]fluorene
CID 158385348
7,7-dimethyl-8-[4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 140724149
2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 59195515
7,7-dimethyl-10-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]benzo[c]fluorene
CID 162108873
21,21-dimethyl-17-(10-phenanthren-3-ylanthracen-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 140724763

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-10-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene?
The IUPAC name of 7,7-dimethyl-10-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene (CID 140724765) is 7,7-dimethyl-10-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene.
What is the SMILES notation for 7,7-dimethyl-10-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene?
The canonical SMILES for 7,7-dimethyl-10-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene is CC1(C)c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6cc7ccccc7c7ccccc67)c5)c5ccccc45)c3)cc2-c2c1ccc1ccccc21.
What is the InChIKey of 7,7-dimethyl-10-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene?
The InChIKey is YJBYWKAGQDLSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40/c1-59(2)54-31-30-39(35-53(54)58-45-22-6-3-15-37(45)29-32-55(58)59)38-17-13-19-42(33-38)56-48-25-9-11-27-50(48)57(51-28-12-10-26-49(51)56)43-20-14-18-40(34-43)52-36-41-16-4-5-21-44(41)46-23-7-8-24-47(46)52/h3-36H,1-2H3.
What are the key properties of 7,7-dimethyl-10-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene?
7,7-dimethyl-10-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene has a molecular weight of 748.97 g/mol, XLogP of 16.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-10-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene is sourced from PubChem (CID 140724765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).