7,7-dimethyl-8-[4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene

C59H40 — CID 140724149

IUPAC7,7-dimethyl-8-[4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
SMILESCC1(C)c2ccc3ccccc3c2-c2cccc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)c5ccccc45)cc3)c21
InChIInChI=1S/C59H40/c1-59(2)54-35-34-37-14-3-6-17-44(37)57(54)52-25-13-24-45(58(52)59)38-26-30-40(31-27-38)55-48-20-9-11-22-50(48)56(51-23-12-10-21-49(51)55)41-32-28-39(29-33-41)53-36-42-15-4-5-16-43(42)46-18-7-8-19-47(46)53/h3-36H,1-2H3
InChIKeyMFFMXSMUQVACMP-UHFFFAOYSA-N
MW748.97 g/mol
LogP16.43
Rot. Bonds4

About 7,7-dimethyl-8-[4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene

7,7-dimethyl-8-[4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene (PubChem CID 140724149) has the molecular formula C59H40 and a molecular weight of 748.97 g/mol. Its IUPAC name is 7,7-dimethyl-8-[4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene.

Molecular Properties

Compound Name7,7-dimethyl-8-[4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
PubChem CID140724149
Molecular FormulaC59H40
Molecular Weight748.97 g/mol
Exact Mass748.31
IUPAC Name7,7-dimethyl-8-[4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
SMILESCC1(C)c2ccc3ccccc3c2-c2cccc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)c5ccccc45)cc3)c21
InChIInChI=1S/C59H40/c1-59(2)54-35-34-37-14-3-6-17-44(37)57(54)52-25-13-24-45(58(52)59)38-26-30-40(31-27-38)55-48-20-9-11-22-50(48)56(51-23-12-10-21-49(51)55)41-32-28-39(29-33-41)53-36-42-15-4-5-16-43(42)46-18-7-8-19-47(46)53/h3-36H,1-2H3
InChIKeyMFFMXSMUQVACMP-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-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
7,7-dimethyl-8-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene;7,7-dimethyl-8-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 158483199
7,7-dimethyl-8-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]fluorene
CID 140724269
7,7-dimethyl-8-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 140724382
7,7-dimethyl-10-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 140724765
7,7-dimethyl-8-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 140724953
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
11,11-dimethyl-10-[4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene
CID 144802961
25,25-dimethyl-5-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene
CID 140725728
21,21-dimethyl-16-[4-(10-phenanthren-9-ylanthracen-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 140724892
5-[10-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]anthracen-9-yl]benzo[c]phenanthrene;2-[10-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 161089842
2-[2-[10-(7,7-dimethylbenzo[g]fluoren-8-yl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(7,7-dimethylbenzo[g]fluoren-8-yl)anthracen-9-yl]phenyl]dibenzofuran;7,7-dimethyl-8-(10-phenanthren-2-ylanthracen-9-yl)benzo[c]fluorene
CID 158635217

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-8-[4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene?
The IUPAC name of 7,7-dimethyl-8-[4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene (CID 140724149) is 7,7-dimethyl-8-[4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene.
What is the SMILES notation for 7,7-dimethyl-8-[4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene?
The canonical SMILES for 7,7-dimethyl-8-[4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene is CC1(C)c2ccc3ccccc3c2-c2cccc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)c5ccccc45)cc3)c21.
What is the InChIKey of 7,7-dimethyl-8-[4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene?
The InChIKey is MFFMXSMUQVACMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40/c1-59(2)54-35-34-37-14-3-6-17-44(37)57(54)52-25-13-24-45(58(52)59)38-26-30-40(31-27-38)55-48-20-9-11-22-50(48)56(51-23-12-10-21-49(51)55)41-32-28-39(29-33-41)53-36-42-15-4-5-16-43(42)46-18-7-8-19-47(46)53/h3-36H,1-2H3.
What are the key properties of 7,7-dimethyl-8-[4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene?
7,7-dimethyl-8-[4-[10-(4-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-8-[4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene is sourced from PubChem (CID 140724149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).