5-(4-naphthalen-2-ylnaphthalen-1-yl)-7,7-diphenylbenzo[c]fluorene

C49H32 — CID 166034342

IUPAC5-(4-naphthalen-2-ylnaphthalen-1-yl)-7,7-diphenylbenzo[c]fluorene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c2cc(-c2ccc(-c4ccc5ccccc5c4)c4ccccc24)c2ccccc32)cc1
InChIInChI=1S/C49H32/c1-3-17-36(18-4-1)49(37-19-5-2-6-20-37)46-26-14-13-25-44(46)48-43-24-12-11-23-41(43)45(32-47(48)49)42-30-29-38(39-21-9-10-22-40(39)42)35-28-27-33-15-7-8-16-34(33)31-35/h1-32H
InChIKeyCJHUJHBMGHONGU-UHFFFAOYSA-N
MW620.80 g/mol
LogP12.84
Rot. Bonds4

About 5-(4-naphthalen-2-ylnaphthalen-1-yl)-7,7-diphenylbenzo[c]fluorene

5-(4-naphthalen-2-ylnaphthalen-1-yl)-7,7-diphenylbenzo[c]fluorene (PubChem CID 166034342) has the molecular formula C49H32 and a molecular weight of 620.80 g/mol. Its IUPAC name is 5-(4-naphthalen-2-ylnaphthalen-1-yl)-7,7-diphenylbenzo[c]fluorene.

Molecular Properties

Compound Name5-(4-naphthalen-2-ylnaphthalen-1-yl)-7,7-diphenylbenzo[c]fluorene
PubChem CID166034342
Molecular FormulaC49H32
Molecular Weight620.80 g/mol
Exact Mass620.25
IUPAC Name5-(4-naphthalen-2-ylnaphthalen-1-yl)-7,7-diphenylbenzo[c]fluorene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c2cc(-c2ccc(-c4ccc5ccccc5c4)c4ccccc24)c2ccccc32)cc1
InChIInChI=1S/C49H32/c1-3-17-36(18-4-1)49(37-19-5-2-6-20-37)46-26-14-13-25-44(46)48-43-24-12-11-23-41(43)45(32-47(48)49)42-30-29-38(39-21-9-10-22-40(39)42)35-28-27-33-15-7-8-16-34(33)31-35/h1-32H
InChIKeyCJHUJHBMGHONGU-UHFFFAOYSA-N
XLogP12.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.80
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-(4-naphthalen-2-ylnaphthalen-1-yl)-7,7-diphenylbenzo[c]fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(10-naphthalen-2-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene
CID 166034549
5-naphthalen-2-yl-9-phenanthren-9-yl-7,7-diphenylbenzo[c]fluorene
CID 59755304
7,7-diphenyl-5-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]benzo[c]fluorene
CID 158070567
5-phenanthren-9-yl-7,7-diphenylbenzo[c]fluorene
CID 166034504
5,9-dinaphthalen-2-yl-7,7-diphenylbenzo[c]fluorene;ethene;propane
CID 144772565
7,7-dimethyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-diphenyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 167546795
9-methyl-5-(4-naphthalen-2-ylphenyl)-7,7-diphenylbenzo[c]fluorene
CID 59755354
2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 146261780
3-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-15,15-diphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 59702596
2,4-dinaphthalen-2-yl-6-spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl-1,3,5-triazine
CID 58233397
9-phenanthren-9-yl-5,7,7-triphenylbenzo[c]fluorene
CID 59755306
9-naphthalen-2-yl-10-[4-[9-(4-naphthalen-1-ylphenyl)fluoren-9-yl]phenyl]anthracene
CID 123292733

Frequently Asked Questions

What is the IUPAC name of 5-(4-naphthalen-2-ylnaphthalen-1-yl)-7,7-diphenylbenzo[c]fluorene?
The IUPAC name of 5-(4-naphthalen-2-ylnaphthalen-1-yl)-7,7-diphenylbenzo[c]fluorene (CID 166034342) is 5-(4-naphthalen-2-ylnaphthalen-1-yl)-7,7-diphenylbenzo[c]fluorene.
What is the SMILES notation for 5-(4-naphthalen-2-ylnaphthalen-1-yl)-7,7-diphenylbenzo[c]fluorene?
The canonical SMILES for 5-(4-naphthalen-2-ylnaphthalen-1-yl)-7,7-diphenylbenzo[c]fluorene is c1ccc(C2(c3ccccc3)c3ccccc3-c3c2cc(-c2ccc(-c4ccc5ccccc5c4)c4ccccc24)c2ccccc32)cc1.
What is the InChIKey of 5-(4-naphthalen-2-ylnaphthalen-1-yl)-7,7-diphenylbenzo[c]fluorene?
The InChIKey is CJHUJHBMGHONGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32/c1-3-17-36(18-4-1)49(37-19-5-2-6-20-37)46-26-14-13-25-44(46)48-43-24-12-11-23-41(43)45(32-47(48)49)42-30-29-38(39-21-9-10-22-40(39)42)35-28-27-33-15-7-8-16-34(33)31-35/h1-32H.
What are the key properties of 5-(4-naphthalen-2-ylnaphthalen-1-yl)-7,7-diphenylbenzo[c]fluorene?
5-(4-naphthalen-2-ylnaphthalen-1-yl)-7,7-diphenylbenzo[c]fluorene has a molecular weight of 620.80 g/mol, XLogP of 12.84, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-naphthalen-2-ylnaphthalen-1-yl)-7,7-diphenylbenzo[c]fluorene is sourced from PubChem (CID 166034342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).