8-chloro-2-naphthalen-2-yl-5-phenylbenzo[c][2,7]phenanthroline

C32H19ClN2 — CID 164810805

IUPAC8-chloro-2-naphthalen-2-yl-5-phenylbenzo[c][2,7]phenanthroline
SMILESClc1ccc2c(c1)nc(-c1ccccc1)c1c3ccc(-c4ccc5ccccc5c4)nc3ccc21
InChIInChI=1S/C32H19ClN2/c33-24-12-13-25-26-14-17-29-27(31(26)32(35-30(25)19-24)21-7-2-1-3-8-21)15-16-28(34-29)23-11-10-20-6-4-5-9-22(20)18-23/h1-19H
InChIKeyVATDGMRTNMMJGI-UHFFFAOYSA-N
MW466.97 g/mol
LogP9.08
Rot. Bonds2

About 8-chloro-2-naphthalen-2-yl-5-phenylbenzo[c][2,7]phenanthroline

8-chloro-2-naphthalen-2-yl-5-phenylbenzo[c][2,7]phenanthroline (PubChem CID 164810805) has the molecular formula C32H19ClN2 and a molecular weight of 466.97 g/mol. Its IUPAC name is 8-chloro-2-naphthalen-2-yl-5-phenylbenzo[c][2,7]phenanthroline.

Molecular Properties

Compound Name8-chloro-2-naphthalen-2-yl-5-phenylbenzo[c][2,7]phenanthroline
PubChem CID164810805
Molecular FormulaC32H19ClN2
Molecular Weight466.97 g/mol
Exact Mass466.12
IUPAC Name8-chloro-2-naphthalen-2-yl-5-phenylbenzo[c][2,7]phenanthroline
SMILESClc1ccc2c(c1)nc(-c1ccccc1)c1c3ccc(-c4ccc5ccccc5c4)nc3ccc21
InChIInChI=1S/C32H19ClN2/c33-24-12-13-25-26-14-17-29-27(31(26)32(35-30(25)19-24)21-7-2-1-3-8-21)15-16-28(34-29)23-11-10-20-6-4-5-9-22(20)18-23/h1-19H
InChIKeyVATDGMRTNMMJGI-UHFFFAOYSA-N
XLogP9.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.97
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2,5-diphenylbenzo[c][2,7]phenanthroline
CID 164810863
8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,5-diphenylbenzo[c][2,7]phenanthroline
CID 164810924
5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[c][2,7]phenanthroline
CID 164810903
5-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline
CID 164811038
5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline;5-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-naphthalen-2-ylbenzo[i][1,9]phenanthroline
CID 165024798
6-chloro-3-(4-chlorophenyl)-2-phenylquinoxaline
CID 132520838
17-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]-9,13,16-triazapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15(20),16,18,21-undecaene
CID 163990270
22-[3-(3,5-dinaphthalen-2-ylphenyl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121474703
17-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)-9,21-diphenyl-9,20-diazapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene
CID 149267202
6-chloro-2-(4-methoxyphenyl)-3-phenylquinoxaline
CID 118726434
5-[4-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[i]phenanthridine
CID 147439693
5-[4-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[i]phenanthridine
CID 147611167

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-naphthalen-2-yl-5-phenylbenzo[c][2,7]phenanthroline?
The IUPAC name of 8-chloro-2-naphthalen-2-yl-5-phenylbenzo[c][2,7]phenanthroline (CID 164810805) is 8-chloro-2-naphthalen-2-yl-5-phenylbenzo[c][2,7]phenanthroline.
What is the SMILES notation for 8-chloro-2-naphthalen-2-yl-5-phenylbenzo[c][2,7]phenanthroline?
The canonical SMILES for 8-chloro-2-naphthalen-2-yl-5-phenylbenzo[c][2,7]phenanthroline is Clc1ccc2c(c1)nc(-c1ccccc1)c1c3ccc(-c4ccc5ccccc5c4)nc3ccc21.
What is the InChIKey of 8-chloro-2-naphthalen-2-yl-5-phenylbenzo[c][2,7]phenanthroline?
The InChIKey is VATDGMRTNMMJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19ClN2/c33-24-12-13-25-26-14-17-29-27(31(26)32(35-30(25)19-24)21-7-2-1-3-8-21)15-16-28(34-29)23-11-10-20-6-4-5-9-22(20)18-23/h1-19H.
What are the key properties of 8-chloro-2-naphthalen-2-yl-5-phenylbenzo[c][2,7]phenanthroline?
8-chloro-2-naphthalen-2-yl-5-phenylbenzo[c][2,7]phenanthroline has a molecular weight of 466.97 g/mol, XLogP of 9.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-naphthalen-2-yl-5-phenylbenzo[c][2,7]phenanthroline is sourced from PubChem (CID 164810805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).