9-(10-naphthalen-1-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene

C53H34 — CID 166034390

IUPAC9-(10-naphthalen-1-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene
SMILESc1ccc(C2(c3ccccc3)c3cc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)ccc3-c3c2ccc2ccccc32)cc1
InChIInChI=1S/C53H34/c1-3-19-38(20-4-1)53(39-21-5-2-6-22-39)48-33-31-36-17-8-10-24-41(36)52(48)47-32-30-37(34-49(47)53)50-43-25-11-13-27-45(43)51(46-28-14-12-26-44(46)50)42-29-15-18-35-16-7-9-23-40(35)42/h1-34H
InChIKeyHFNRZYQRTRNYSG-UHFFFAOYSA-N
MW670.86 g/mol
LogP14.00
Rot. Bonds4

About 9-(10-naphthalen-1-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene

9-(10-naphthalen-1-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene (PubChem CID 166034390) has the molecular formula C53H34 and a molecular weight of 670.86 g/mol. Its IUPAC name is 9-(10-naphthalen-1-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene.

Molecular Properties

Compound Name9-(10-naphthalen-1-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene
PubChem CID166034390
Molecular FormulaC53H34
Molecular Weight670.86 g/mol
Exact Mass670.27
IUPAC Name9-(10-naphthalen-1-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene
SMILESc1ccc(C2(c3ccccc3)c3cc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)ccc3-c3c2ccc2ccccc32)cc1
InChIInChI=1S/C53H34/c1-3-19-38(20-4-1)53(39-21-5-2-6-22-39)48-33-31-36-17-8-10-24-41(36)52(48)47-32-30-37(34-49(47)53)50-43-25-11-13-27-45(43)51(46-28-14-12-26-44(46)50)42-29-15-18-35-16-7-9-23-40(35)42/h1-34H
InChIKeyHFNRZYQRTRNYSG-UHFFFAOYSA-N
XLogP14.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.86
LogP ≤ 514.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-(4-methylphenyl)-7-phenyl-9-[10-(4-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 144583282
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
7,7-diphenylbenzo[g]fluoren-9-amine
CID 134361009
5-methyl-2-naphthalen-1-yl-9,9-diphenylfluorene
CID 156896564
9-(9,9-diphenylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-(4-naphthalen-1-ylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene;9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 161164910
5-(10-naphthalen-2-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene
CID 166034549
9-[4-[9-(4-anthracen-9-ylphenyl)fluoren-9-yl]phenyl]-10-phenylanthracene;2',7'-bis[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene];9-[4-[2,7-diphenyl-9-(4-phenylphenyl)fluoren-9-yl]phenyl]-10-phenylanthracene;9-naphthalen-1-yl-10-[4-[9-(4-naphthalen-1-ylphenyl)fluoren-9-yl]phenyl]anthracene
CID 159912544
15,15-diphenyl-3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 59702595
2-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)naphthalen-1-yl]-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 168777450
2-naphthalen-1-yl-9,9-diphenylfluorene;hydroiodide
CID 144939232
N-[4-[4-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]phenyl]-N,2-diphenylaniline
CID 135299735
3-[3-(7,7-diphenylbenzo[g]fluoren-9-yl)phenyl]-5-isocyanopyridine
CID 140768911

Frequently Asked Questions

What is the IUPAC name of 9-(10-naphthalen-1-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene?
The IUPAC name of 9-(10-naphthalen-1-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene (CID 166034390) is 9-(10-naphthalen-1-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene.
What is the SMILES notation for 9-(10-naphthalen-1-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene?
The canonical SMILES for 9-(10-naphthalen-1-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene is c1ccc(C2(c3ccccc3)c3cc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)ccc3-c3c2ccc2ccccc32)cc1.
What is the InChIKey of 9-(10-naphthalen-1-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene?
The InChIKey is HFNRZYQRTRNYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34/c1-3-19-38(20-4-1)53(39-21-5-2-6-22-39)48-33-31-36-17-8-10-24-41(36)52(48)47-32-30-37(34-49(47)53)50-43-25-11-13-27-45(43)51(46-28-14-12-26-44(46)50)42-29-15-18-35-16-7-9-23-40(35)42/h1-34H.
What are the key properties of 9-(10-naphthalen-1-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene?
9-(10-naphthalen-1-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene has a molecular weight of 670.86 g/mol, XLogP of 14.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(10-naphthalen-1-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene is sourced from PubChem (CID 166034390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).