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

C114H78 — CID 161066800

IUPAC7,7-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
SMILESCC1(C)c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc45)cc3)cc2-c2c1ccc1ccccc21.CC1(C)c2ccc(-c3ccc(-c4c5ccccc5c(-c5cccc(-c6cc7ccccc7c7ccccc67)c5)c5ccccc45)cc3)cc2-c2c1ccc1ccccc21
InChIInChI=1S/C59H40.C55H38/c1-59(2)54-32-31-40(35-53(54)58-45-19-6-3-14-38(45)30-33-55(58)59)37-26-28-39(29-27-37)56-48-22-9-11-24-50(48)57(51-25-12-10-23-49(51)56)43-17-13-16-41(34-43)52-36-42-15-4-5-18-44(42)46-20-7-8-21-47(46)52;1-55(2)50-31-30-43(34-49(50)54-44-14-6-5-12-38(44)29-32-51(54)55)37-21-26-40(27-22-37)53-47-17-9-7-15-45(47)52(46-16-8-10-18-48(46)53)39-24-19-36(20-25-39)42-28-23-35-11-3-4-13-41(35)33-42/h3-36H,1-2H3;3-34H,1-2H3
InChIKeyUECZLUIGMAAGDY-UHFFFAOYSA-N
MW1447.88 g/mol
LogP31.70
Rot. Bonds8

About 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

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 (PubChem CID 161066800) has the molecular formula C114H78 and a molecular weight of 1447.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7,7-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
PubChem CID161066800
Molecular FormulaC114H78
Molecular Weight1447.88 g/mol
Exact Mass1446.61
IUPAC Name7,7-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
SMILESCC1(C)c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc45)cc3)cc2-c2c1ccc1ccccc21.CC1(C)c2ccc(-c3ccc(-c4c5ccccc5c(-c5cccc(-c6cc7ccccc7c7ccccc67)c5)c5ccccc45)cc3)cc2-c2c1ccc1ccccc21
InChIInChI=1S/C59H40.C55H38/c1-59(2)54-32-31-40(35-53(54)58-45-19-6-3-14-38(45)30-33-55(58)59)37-26-28-39(29-27-37)56-48-22-9-11-24-50(48)57(51-25-12-10-23-49(51)56)43-17-13-16-41(34-43)52-36-42-15-4-5-18-44(42)46-20-7-8-21-47(46)52;1-55(2)50-31-30-43(34-49(50)54-44-14-6-5-12-38(44)29-32-51(54)55)37-21-26-40(27-22-37)53-47-17-9-7-15-45(47)52(46-16-8-10-18-48(46)53)39-24-19-36(20-25-39)42-28-23-35-11-3-4-13-41(35)33-42/h3-36H,1-2H3;3-34H,1-2H3
InChIKeyUECZLUIGMAAGDY-UHFFFAOYSA-N
XLogP31.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001447.88
LogP ≤ 531.70
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'}

Analyze 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 with MolForge

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Related Compounds

7,7-dimethyl-10-[3-[10-(3-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 140724765
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
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
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
9,9,14,14-tetramethyl-5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 140784213
11,11-dimethyl-3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-3-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene
CID 158758493
7,7-dimethyl-5-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 163434159
7,7-dimethyl-11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 140724375
12,12-dimethyl-9-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 140710600
9-[4-(9,9-dimethylfluoren-3-yl)phenyl]-10-naphthalen-1-ylanthracene;9-naphthalen-1-yl-10-(2-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-3-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenanthren-9-ylphenyl)anthracene
CID 164955701

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc7ccccc7c6)cc5)c5ccccc45)cc3)cc2-c2c1ccc1ccccc21.CC1(C)c2ccc(-c3ccc(-c4c5ccccc5c(-c5cccc(-c6cc7ccccc7c7ccccc67)c5)c5ccccc45)cc3)cc2-c2c1ccc1ccccc21.
What is the InChIKey of 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?
The InChIKey is UECZLUIGMAAGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40.C55H38/c1-59(2)54-32-31-40(35-53(54)58-45-19-6-3-14-38(45)30-33-55(58)59)37-26-28-39(29-27-37)56-48-22-9-11-24-50(48)57(51-25-12-10-23-49(51)56)43-17-13-16-41(34-43)52-36-42-15-4-5-18-44(42)46-20-7-8-21-47(46)52;1-55(2)50-31-30-43(34-49(50)54-44-14-6-5-12-38(44)29-32-51(54)55)37-21-26-40(27-22-37)53-47-17-9-7-15-45(47)52(46-16-8-10-18-48(46)53)39-24-19-36(20-25-39)42-28-23-35-11-3-4-13-41(35)33-42/h3-36H,1-2H3;3-34H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1447.88 g/mol, XLogP of 31.70, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161066800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).