9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(4-naphthalen-1-ylphenyl)anthracene

C50H32 — CID 123979832

IUPAC9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(4-naphthalen-1-ylphenyl)anthracene
SMILESc1ccc2cc(-c3ccc4ccc(-c5c6ccccc6c(-c6ccc(-c7cccc8ccccc78)cc6)c6ccccc56)cc4c3)ccc2c1
InChIInChI=1S/C50H32/c1-2-12-38-30-39(27-20-33(38)10-1)40-28-21-34-22-29-41(32-42(34)31-40)50-47-17-7-5-15-45(47)49(46-16-6-8-18-48(46)50)37-25-23-36(24-26-37)44-19-9-13-35-11-3-4-14-43(35)44/h1-32H
InChIKeyXGBLCNUBNVLVPK-UHFFFAOYSA-N
MW632.81 g/mol
LogP14.12
Rot. Bonds4

About 9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(4-naphthalen-1-ylphenyl)anthracene

9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(4-naphthalen-1-ylphenyl)anthracene (PubChem CID 123979832) has the molecular formula C50H32 and a molecular weight of 632.81 g/mol. Its IUPAC name is 9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(4-naphthalen-1-ylphenyl)anthracene.

Molecular Properties

Compound Name9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(4-naphthalen-1-ylphenyl)anthracene
PubChem CID123979832
Molecular FormulaC50H32
Molecular Weight632.81 g/mol
Exact Mass632.25
IUPAC Name9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(4-naphthalen-1-ylphenyl)anthracene
SMILESc1ccc2cc(-c3ccc4ccc(-c5c6ccccc6c(-c6ccc(-c7cccc8ccccc78)cc6)c6ccccc56)cc4c3)ccc2c1
InChIInChI=1S/C50H32/c1-2-12-38-30-39(27-20-33(38)10-1)40-28-21-34-22-29-41(32-42(34)31-40)50-47-17-7-5-15-45(47)49(46-16-6-8-18-48(46)50)37-25-23-36(24-26-37)44-19-9-13-35-11-3-4-14-43(35)44/h1-32H
InChIKeyXGBLCNUBNVLVPK-UHFFFAOYSA-N
XLogP14.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 514.12
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

9-(4-naphthalen-1-ylphenyl)-10-[7-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene;9-(4-naphthalen-1-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 160960650
9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-(4-naphthalen-1-ylphenyl)anthracene
CID 58856463
9-(4-naphthalen-1-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-2-ylphenyl)phenyl]anthracene
CID 159854260
9-(3-naphthalen-2-ylphenyl)-10-[6-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]anthracene
CID 123921245
9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 161131758
9-(4-naphthalen-1-ylphenyl)-10-[3-(6-phenylnaphthalen-2-yl)phenyl]anthracene
CID 58856435
9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene
CID 25112576
9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 157304390
9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(4-phenylphenyl)anthracene
CID 159387221
9-[7-(3,5-diphenylphenyl)naphthalen-2-yl]-10-(3-phenylphenyl)anthracene;9-[7-(4-naphthalen-1-ylphenyl)naphthalen-2-yl]-10-(3-phenylphenyl)anthracene
CID 160659436
9-naphthalen-1-yl-10-(7-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-phenylanthracene;9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-phenylanthracene;9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-(2-phenylphenyl)anthracene;9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(2-phenylphenyl)anthracene;9-naphthalen-1-yl-10-(7-phenylnaphthalen-2-yl)anthracene;9-(7-phenylnaphthalen-2-yl)-10-(2-phenylphenyl)anthracene
CID 163618138
9-naphthalen-2-yl-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene;9-naphthalen-2-yl-10-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]anthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(2-phenylphenyl)-10-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]anthracene;9-[2-(4-phenylphenyl)phenyl]-10-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]anthracene;9-[2-(4-phenylphenyl)phenyl]-10-[4-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]anthracene
CID 158444293

Frequently Asked Questions

What is the IUPAC name of 9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(4-naphthalen-1-ylphenyl)anthracene?
The IUPAC name of 9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(4-naphthalen-1-ylphenyl)anthracene (CID 123979832) is 9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(4-naphthalen-1-ylphenyl)anthracene.
What is the SMILES notation for 9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(4-naphthalen-1-ylphenyl)anthracene?
The canonical SMILES for 9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(4-naphthalen-1-ylphenyl)anthracene is c1ccc2cc(-c3ccc4ccc(-c5c6ccccc6c(-c6ccc(-c7cccc8ccccc78)cc6)c6ccccc56)cc4c3)ccc2c1.
What is the InChIKey of 9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(4-naphthalen-1-ylphenyl)anthracene?
The InChIKey is XGBLCNUBNVLVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32/c1-2-12-38-30-39(27-20-33(38)10-1)40-28-21-34-22-29-41(32-42(34)31-40)50-47-17-7-5-15-45(47)49(46-16-6-8-18-48(46)50)37-25-23-36(24-26-37)44-19-9-13-35-11-3-4-14-43(35)44/h1-32H.
What are the key properties of 9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(4-naphthalen-1-ylphenyl)anthracene?
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(4-naphthalen-1-ylphenyl)anthracene has a molecular weight of 632.81 g/mol, XLogP of 14.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(4-naphthalen-1-ylphenyl)anthracene is sourced from PubChem (CID 123979832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).