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

C106H74 — CID 161283904

IUPAC7,7-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
SMILESCC1(C)c2ccc3ccccc3c2-c2cccc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccccc6)cc5)c5ccccc45)cc3)c21.CC1(C)c2ccc3ccccc3c2-c2cccc(-c3ccc(-c4c5ccccc5c(-c5cccc(-c6cccc7ccccc67)c5)c5ccccc45)cc3)c21
InChIInChI=1S/C55H38.C51H36/c1-55(2)50-33-32-36-15-4-6-20-43(36)53(50)49-27-13-26-44(54(49)55)37-28-30-38(31-29-37)51-45-21-7-9-23-47(45)52(48-24-10-8-22-46(48)51)40-18-11-17-39(34-40)42-25-12-16-35-14-3-5-19-41(35)42;1-51(2)46-32-31-35-15-6-7-16-39(35)49(46)45-22-12-21-40(50(45)51)36-25-29-38(30-26-36)48-43-19-10-8-17-41(43)47(42-18-9-11-20-44(42)48)37-27-23-34(24-28-37)33-13-4-3-5-14-33/h3-34H,1-2H3;3-32H,1-2H3
InChIKeyVFLPDLVZMHBCTJ-UHFFFAOYSA-N
MW1347.76 g/mol
LogP29.39
Rot. Bonds8

About 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

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 (PubChem CID 161283904) has the molecular formula C106H74 and a molecular weight of 1347.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7,7-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
PubChem CID161283904
Molecular FormulaC106H74
Molecular Weight1347.76 g/mol
Exact Mass1346.58
IUPAC Name7,7-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
SMILESCC1(C)c2ccc3ccccc3c2-c2cccc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccccc6)cc5)c5ccccc45)cc3)c21.CC1(C)c2ccc3ccccc3c2-c2cccc(-c3ccc(-c4c5ccccc5c(-c5cccc(-c6cccc7ccccc67)c5)c5ccccc45)cc3)c21
InChIInChI=1S/C55H38.C51H36/c1-55(2)50-33-32-36-15-4-6-20-43(36)53(50)49-27-13-26-44(54(49)55)37-28-30-38(31-29-37)51-45-21-7-9-23-47(45)52(48-24-10-8-22-46(48)51)40-18-11-17-39(34-40)42-25-12-16-35-14-3-5-19-41(35)42;1-51(2)46-32-31-35-15-6-7-16-39(35)49(46)45-22-12-21-40(50(45)51)36-25-29-38(30-26-36)48-43-19-10-8-17-41(43)47(42-18-9-11-20-44(42)48)37-27-23-34(24-28-37)33-13-4-3-5-14-33/h3-34H,1-2H3;3-32H,1-2H3
InChIKeyVFLPDLVZMHBCTJ-UHFFFAOYSA-N
XLogP29.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001347.76
LogP ≤ 529.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 140724382
7,7-dimethyl-8-[4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene
CID 140724149
7,7-dimethyl-10-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 140724252
11,11-dimethyl-1-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[b]fluorene
CID 140724534
11,11-dimethyl-10-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene
CID 140724696
7,7-dimethyl-8-(10-naphthalen-2-ylanthracen-9-yl)benzo[c]fluorene
CID 140724269
7,7-dimethyl-8-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 140724953
9-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413134
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 144568905
9-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-10-phenylanthracene
CID 123523837
7,7-dimethyl-11-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene
CID 140725023

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccc3ccccc3c2-c2cccc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccccc6)cc5)c5ccccc45)cc3)c21.CC1(C)c2ccc3ccccc3c2-c2cccc(-c3ccc(-c4c5ccccc5c(-c5cccc(-c6cccc7ccccc67)c5)c5ccccc45)cc3)c21.
What is the InChIKey of 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?
The InChIKey is VFLPDLVZMHBCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38.C51H36/c1-55(2)50-33-32-36-15-4-6-20-43(36)53(50)49-27-13-26-44(54(49)55)37-28-30-38(31-29-37)51-45-21-7-9-23-47(45)52(48-24-10-8-22-46(48)51)40-18-11-17-39(34-40)42-25-12-16-35-14-3-5-19-41(35)42;1-51(2)46-32-31-35-15-6-7-16-39(35)49(46)45-22-12-21-40(50(45)51)36-25-29-38(30-26-36)48-43-19-10-8-17-41(43)47(42-18-9-11-20-44(42)48)37-27-23-34(24-28-37)33-13-4-3-5-14-33/h3-34H,1-2H3;3-32H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1347.76 g/mol, XLogP of 29.39, 8 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-(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 is sourced from PubChem (CID 161283904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).