6-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]benzo[k]phenanthridine

C45H27N3 — CID 146231062

IUPAC6-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]benzo[k]phenanthridine
SMILESc1ccc2c(c1)ccc1c(-c3ccc(-c4ccc5cc(-c6cc7cccnc7c7ncccc67)ccc5c4)cc3)nc3ccccc3c12
InChIInChI=1S/C45H27N3/c1-2-9-36-29(7-1)21-22-39-42(36)38-10-3-4-12-41(38)48-43(39)30-15-13-28(14-16-30)31-17-18-33-26-34(20-19-32(33)25-31)40-27-35-8-5-23-46-44(35)45-37(40)11-6-24-47-45/h1-27H
InChIKeySNIOLMASYSRXFK-UHFFFAOYSA-N
MW609.73 g/mol
LogP11.79
Rot. Bonds3

About 6-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]benzo[k]phenanthridine

6-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]benzo[k]phenanthridine (PubChem CID 146231062) has the molecular formula C45H27N3 and a molecular weight of 609.73 g/mol. Its IUPAC name is 6-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]benzo[k]phenanthridine.

Molecular Properties

Compound Name6-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]benzo[k]phenanthridine
PubChem CID146231062
Molecular FormulaC45H27N3
Molecular Weight609.73 g/mol
Exact Mass609.22
IUPAC Name6-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]benzo[k]phenanthridine
SMILESc1ccc2c(c1)ccc1c(-c3ccc(-c4ccc5cc(-c6cc7cccnc7c7ncccc67)ccc5c4)cc3)nc3ccccc3c12
InChIInChI=1S/C45H27N3/c1-2-9-36-29(7-1)21-22-39-42(36)38-10-3-4-12-41(38)48-43(39)30-15-13-28(14-16-30)31-17-18-33-26-34(20-19-32(33)25-31)40-27-35-8-5-23-46-44(35)45-37(40)11-6-24-47-45/h1-27H
InChIKeySNIOLMASYSRXFK-UHFFFAOYSA-N
XLogP11.79
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.73
LogP ≤ 511.79
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

6-[3-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 135199013
6-[3-[6-(1,10-phenanthrolin-4-yl)-3-pyridinyl]phenyl]benzo[k]phenanthridine
CID 146408560
7-[7-(1,10-phenanthrolin-5-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline
CID 134559393
14-[4-[5-(1,10-phenanthrolin-5-yl)pyrimidin-2-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 146231263
[4-[4-(4-benzo[k]phenanthridin-6-ylphenyl)phenyl]phenyl]-triphenylsilane
CID 140759791
6-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)quinolin-8-yl]benzo[k]phenanthridine
CID 122665547
6-naphthalen-2-yl-8-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665702
14-[3-[7-(1,10-phenanthrolin-5-yl)triphenylen-2-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 146231171
15-[4-(3-pyridin-4-ylphenyl)phenyl]-4,16-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 129037664
6-[4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122666012
7-(4-dibenzofuran-2-ylphenyl)benzo[k][1,8]phenanthroline
CID 122471874
6-[4-[7-(1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[5-(1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine
CID 163502376

Frequently Asked Questions

What is the IUPAC name of 6-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]benzo[k]phenanthridine?
The IUPAC name of 6-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]benzo[k]phenanthridine (CID 146231062) is 6-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]benzo[k]phenanthridine.
What is the SMILES notation for 6-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]benzo[k]phenanthridine?
The canonical SMILES for 6-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]benzo[k]phenanthridine is c1ccc2c(c1)ccc1c(-c3ccc(-c4ccc5cc(-c6cc7cccnc7c7ncccc67)ccc5c4)cc3)nc3ccccc3c12.
What is the InChIKey of 6-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]benzo[k]phenanthridine?
The InChIKey is SNIOLMASYSRXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3/c1-2-9-36-29(7-1)21-22-39-42(36)38-10-3-4-12-41(38)48-43(39)30-15-13-28(14-16-30)31-17-18-33-26-34(20-19-32(33)25-31)40-27-35-8-5-23-46-44(35)45-37(40)11-6-24-47-45/h1-27H.
What are the key properties of 6-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]benzo[k]phenanthridine?
6-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]benzo[k]phenanthridine has a molecular weight of 609.73 g/mol, XLogP of 11.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]benzo[k]phenanthridine is sourced from PubChem (CID 146231062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).