5-(10-naphthalen-2-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene

C53H34 — CID 166034549

IUPAC5-(10-naphthalen-2-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c2cc(-c2c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc24)c2ccccc32)cc1
InChIInChI=1S/C53H34/c1-3-19-38(20-4-1)53(39-21-5-2-6-22-39)48-30-16-15-29-46(48)52-41-24-10-9-23-40(41)47(34-49(52)53)51-44-27-13-11-25-42(44)50(43-26-12-14-28-45(43)51)37-32-31-35-17-7-8-18-36(35)33-37/h1-34H
InChIKeyMSOOEKXMWDPFMY-UHFFFAOYSA-N
MW670.86 g/mol
LogP14.00
Rot. Bonds4

About 5-(10-naphthalen-2-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene

5-(10-naphthalen-2-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene (PubChem CID 166034549) has the molecular formula C53H34 and a molecular weight of 670.86 g/mol. Its IUPAC name is 5-(10-naphthalen-2-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene.

Molecular Properties

Compound Name5-(10-naphthalen-2-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene
PubChem CID166034549
Molecular FormulaC53H34
Molecular Weight670.86 g/mol
Exact Mass670.27
IUPAC Name5-(10-naphthalen-2-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c2cc(-c2c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc24)c2ccccc32)cc1
InChIInChI=1S/C53H34/c1-3-19-38(20-4-1)53(39-21-5-2-6-22-39)48-30-16-15-29-46(48)52-41-24-10-9-23-40(41)47(34-49(52)53)51-44-27-13-11-25-42(44)50(43-26-12-14-28-45(43)51)37-32-31-35-17-7-8-18-36(35)33-37/h1-34H
InChIKeyMSOOEKXMWDPFMY-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

7,7-diphenyl-5-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]benzo[c]fluorene
CID 158070567
5-(4-naphthalen-2-ylnaphthalen-1-yl)-7,7-diphenylbenzo[c]fluorene
CID 166034342
5-naphthalen-2-yl-9-phenanthren-9-yl-7,7-diphenylbenzo[c]fluorene
CID 59755304
9'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]
CID 140962359
5-phenanthren-9-yl-7,7-diphenylbenzo[c]fluorene
CID 166034504
22-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-25,25-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 140725913
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
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
9-methyl-5-(4-naphthalen-2-ylphenyl)-7,7-diphenylbenzo[c]fluorene
CID 59755354
9-naphthalen-2-yl-10-[4-[9-(4-naphthalen-1-ylphenyl)fluoren-9-yl]phenyl]anthracene
CID 123292733
6-(10-naphthalen-2-ylanthracen-9-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 166034510
2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 146261780

Frequently Asked Questions

What is the IUPAC name of 5-(10-naphthalen-2-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene?
The IUPAC name of 5-(10-naphthalen-2-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene (CID 166034549) is 5-(10-naphthalen-2-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene.
What is the SMILES notation for 5-(10-naphthalen-2-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene?
The canonical SMILES for 5-(10-naphthalen-2-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene is c1ccc(C2(c3ccccc3)c3ccccc3-c3c2cc(-c2c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc24)c2ccccc32)cc1.
What is the InChIKey of 5-(10-naphthalen-2-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene?
The InChIKey is MSOOEKXMWDPFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34/c1-3-19-38(20-4-1)53(39-21-5-2-6-22-39)48-30-16-15-29-46(48)52-41-24-10-9-23-40(41)47(34-49(52)53)51-44-27-13-11-25-42(44)50(43-26-12-14-28-45(43)51)37-32-31-35-17-7-8-18-36(35)33-37/h1-34H.
What are the key properties of 5-(10-naphthalen-2-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene?
5-(10-naphthalen-2-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 5-(10-naphthalen-2-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene is sourced from PubChem (CID 166034549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).