5-naphthalen-2-yl-9-phenanthren-9-yl-7,7-diphenylbenzo[c]fluorene

C53H34 — CID 59755304

IUPAC5-naphthalen-2-yl-9-phenanthren-9-yl-7,7-diphenylbenzo[c]fluorene
SMILESc1ccc(C2(c3ccccc3)c3cc(-c4cc5ccccc5c5ccccc45)ccc3-c3c2cc(-c2ccc4ccccc4c2)c2ccccc32)cc1
InChIInChI=1S/C53H34/c1-3-18-40(19-4-1)53(41-20-5-2-6-21-41)50-33-39(48-32-37-17-9-10-22-42(37)43-23-11-12-24-44(43)48)29-30-47(50)52-46-26-14-13-25-45(46)49(34-51(52)53)38-28-27-35-15-7-8-16-36(35)31-38/h1-34H
InChIKeyQNPSVPLEHHQWGX-UHFFFAOYSA-N
MW670.86 g/mol
LogP14.00
Rot. Bonds4

About 5-naphthalen-2-yl-9-phenanthren-9-yl-7,7-diphenylbenzo[c]fluorene

5-naphthalen-2-yl-9-phenanthren-9-yl-7,7-diphenylbenzo[c]fluorene (PubChem CID 59755304) has the molecular formula C53H34 and a molecular weight of 670.86 g/mol. Its IUPAC name is 5-naphthalen-2-yl-9-phenanthren-9-yl-7,7-diphenylbenzo[c]fluorene.

Molecular Properties

Compound Name5-naphthalen-2-yl-9-phenanthren-9-yl-7,7-diphenylbenzo[c]fluorene
PubChem CID59755304
Molecular FormulaC53H34
Molecular Weight670.86 g/mol
Exact Mass670.27
IUPAC Name5-naphthalen-2-yl-9-phenanthren-9-yl-7,7-diphenylbenzo[c]fluorene
SMILESc1ccc(C2(c3ccccc3)c3cc(-c4cc5ccccc5c5ccccc45)ccc3-c3c2cc(-c2ccc4ccccc4c2)c2ccccc32)cc1
InChIInChI=1S/C53H34/c1-3-18-40(19-4-1)53(41-20-5-2-6-21-41)50-33-39(48-32-37-17-9-10-22-42(37)43-23-11-12-24-44(43)48)29-30-47(50)52-46-26-14-13-25-45(46)49(34-51(52)53)38-28-27-35-15-7-8-16-36(35)31-38/h1-34H
InChIKeyQNPSVPLEHHQWGX-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_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-9-phenanthren-9-yl-7,7-diphenylbenzo[c]fluorene?
The IUPAC name of 5-naphthalen-2-yl-9-phenanthren-9-yl-7,7-diphenylbenzo[c]fluorene (CID 59755304) is 5-naphthalen-2-yl-9-phenanthren-9-yl-7,7-diphenylbenzo[c]fluorene.
What is the SMILES notation for 5-naphthalen-2-yl-9-phenanthren-9-yl-7,7-diphenylbenzo[c]fluorene?
The canonical SMILES for 5-naphthalen-2-yl-9-phenanthren-9-yl-7,7-diphenylbenzo[c]fluorene is c1ccc(C2(c3ccccc3)c3cc(-c4cc5ccccc5c5ccccc45)ccc3-c3c2cc(-c2ccc4ccccc4c2)c2ccccc32)cc1.
What is the InChIKey of 5-naphthalen-2-yl-9-phenanthren-9-yl-7,7-diphenylbenzo[c]fluorene?
The InChIKey is QNPSVPLEHHQWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34/c1-3-18-40(19-4-1)53(41-20-5-2-6-21-41)50-33-39(48-32-37-17-9-10-22-42(37)43-23-11-12-24-44(43)48)29-30-47(50)52-46-26-14-13-25-45(46)49(34-51(52)53)38-28-27-35-15-7-8-16-36(35)31-38/h1-34H.
What are the key properties of 5-naphthalen-2-yl-9-phenanthren-9-yl-7,7-diphenylbenzo[c]fluorene?
5-naphthalen-2-yl-9-phenanthren-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-naphthalen-2-yl-9-phenanthren-9-yl-7,7-diphenylbenzo[c]fluorene is sourced from PubChem (CID 59755304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).