2-(9-naphthalen-1-yl-9-naphthalen-2-ylxanthen-2-yl)-9-phenyl-1,10-phenanthroline

C51H32N2O — CID 166914461

IUPAC2-(9-naphthalen-1-yl-9-naphthalen-2-ylxanthen-2-yl)-9-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc6c(c5)C(c5ccc7ccccc7c5)(c5cccc7ccccc57)c5ccccc5O6)nc4c3n2)cc1
InChIInChI=1S/C51H32N2O/c1-2-13-35(14-3-1)45-28-24-36-21-22-37-25-29-46(53-50(37)49(36)52-45)39-26-30-48-44(32-39)51(43-18-8-9-20-47(43)54-48,40-27-23-33-11-4-5-15-38(33)31-40)42-19-10-16-34-12-6-7-17-41(34)42/h1-32H
InChIKeyYNVHRQCKWWJXOP-UHFFFAOYSA-N
MW688.83 g/mol
LogP12.91
Rot. Bonds4

About 2-(9-naphthalen-1-yl-9-naphthalen-2-ylxanthen-2-yl)-9-phenyl-1,10-phenanthroline

2-(9-naphthalen-1-yl-9-naphthalen-2-ylxanthen-2-yl)-9-phenyl-1,10-phenanthroline (PubChem CID 166914461) has the molecular formula C51H32N2O and a molecular weight of 688.83 g/mol. Its IUPAC name is 2-(9-naphthalen-1-yl-9-naphthalen-2-ylxanthen-2-yl)-9-phenyl-1,10-phenanthroline.

Molecular Properties

Compound Name2-(9-naphthalen-1-yl-9-naphthalen-2-ylxanthen-2-yl)-9-phenyl-1,10-phenanthroline
PubChem CID166914461
Molecular FormulaC51H32N2O
Molecular Weight688.83 g/mol
Exact Mass688.25
IUPAC Name2-(9-naphthalen-1-yl-9-naphthalen-2-ylxanthen-2-yl)-9-phenyl-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc6c(c5)C(c5ccc7ccccc7c5)(c5cccc7ccccc57)c5ccccc5O6)nc4c3n2)cc1
InChIInChI=1S/C51H32N2O/c1-2-13-35(14-3-1)45-28-24-36-21-22-37-25-29-46(53-50(37)49(36)52-45)39-26-30-48-44(32-39)51(43-18-8-9-20-47(43)54-48,40-27-23-33-11-4-5-15-38(33)31-40)42-19-10-16-34-12-6-7-17-41(34)42/h1-32H
InChIKeyYNVHRQCKWWJXOP-UHFFFAOYSA-N
XLogP12.91
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 512.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-[4-(9,9-dinaphthalen-2-ylxanthen-2-yl)phenyl]-2-phenylquinazoline
CID 166914454
2-[3-(9,9-dimethylxanthen-3-yl)phenyl]-9-phenyl-1,10-phenanthroline
CID 166908479
4-naphthalen-1-yl-6-[4-[7'-[4-[4-naphthalen-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-2-phenylpyrimidine
CID 167177909
2-(7-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)-9-phenyl-1,10-phenanthroline
CID 134596702
14-phenyl-6-(9-phenyl-1,10-phenanthrolin-2-yl)spiro[15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene-9,9'-xanthene]
CID 164737379
2-naphthalen-2-yl-9-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 59010381
N-[4-(9,9-diphenylxanthen-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 118134260
4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)pyrimidine
CID 137388304
2-[3-(9,9-diphenylxanthen-4-yl)phenyl]-1,10-phenanthroline
CID 166914697
2'-(3-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]
CID 177298671
2-[3-(2-methyl-9-phenyl-1,2-dihydroxanthen-9-yl)phenyl]-9-phenyl-1,10-phenanthroline
CID 138636173
2-phenanthren-2-yl-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 130379619

Frequently Asked Questions

What is the IUPAC name of 2-(9-naphthalen-1-yl-9-naphthalen-2-ylxanthen-2-yl)-9-phenyl-1,10-phenanthroline?
The IUPAC name of 2-(9-naphthalen-1-yl-9-naphthalen-2-ylxanthen-2-yl)-9-phenyl-1,10-phenanthroline (CID 166914461) is 2-(9-naphthalen-1-yl-9-naphthalen-2-ylxanthen-2-yl)-9-phenyl-1,10-phenanthroline.
What is the SMILES notation for 2-(9-naphthalen-1-yl-9-naphthalen-2-ylxanthen-2-yl)-9-phenyl-1,10-phenanthroline?
The canonical SMILES for 2-(9-naphthalen-1-yl-9-naphthalen-2-ylxanthen-2-yl)-9-phenyl-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5ccc6c(c5)C(c5ccc7ccccc7c5)(c5cccc7ccccc57)c5ccccc5O6)nc4c3n2)cc1.
What is the InChIKey of 2-(9-naphthalen-1-yl-9-naphthalen-2-ylxanthen-2-yl)-9-phenyl-1,10-phenanthroline?
The InChIKey is YNVHRQCKWWJXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O/c1-2-13-35(14-3-1)45-28-24-36-21-22-37-25-29-46(53-50(37)49(36)52-45)39-26-30-48-44(32-39)51(43-18-8-9-20-47(43)54-48,40-27-23-33-11-4-5-15-38(33)31-40)42-19-10-16-34-12-6-7-17-41(34)42/h1-32H.
What are the key properties of 2-(9-naphthalen-1-yl-9-naphthalen-2-ylxanthen-2-yl)-9-phenyl-1,10-phenanthroline?
2-(9-naphthalen-1-yl-9-naphthalen-2-ylxanthen-2-yl)-9-phenyl-1,10-phenanthroline has a molecular weight of 688.83 g/mol, XLogP of 12.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-naphthalen-1-yl-9-naphthalen-2-ylxanthen-2-yl)-9-phenyl-1,10-phenanthroline is sourced from PubChem (CID 166914461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).