7-perylen-3-yl-12-phenylbenzo[j]phenanthridine

C43H25N — CID 59183304

IUPAC7-perylen-3-yl-12-phenylbenzo[j]phenanthridine
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)c3cnc4ccccc4c23)cc1
InChIInChI=1S/C43H25N/c1-2-11-27(12-3-1)40-30-15-4-5-16-31(30)42(37-25-44-38-22-7-6-17-36(38)43(37)40)35-24-23-34-29-19-9-14-26-13-8-18-28(39(26)29)32-20-10-21-33(35)41(32)34/h1-25H
InChIKeyPLOSKEQIBMLBPP-UHFFFAOYSA-N
MW555.68 g/mol
LogP11.93
Rot. Bonds2

About 7-perylen-3-yl-12-phenylbenzo[j]phenanthridine

7-perylen-3-yl-12-phenylbenzo[j]phenanthridine (PubChem CID 59183304) has the molecular formula C43H25N and a molecular weight of 555.68 g/mol. Its IUPAC name is 7-perylen-3-yl-12-phenylbenzo[j]phenanthridine.

Molecular Properties

Compound Name7-perylen-3-yl-12-phenylbenzo[j]phenanthridine
PubChem CID59183304
Molecular FormulaC43H25N
Molecular Weight555.68 g/mol
Exact Mass555.20
IUPAC Name7-perylen-3-yl-12-phenylbenzo[j]phenanthridine
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)c3cnc4ccccc4c23)cc1
InChIInChI=1S/C43H25N/c1-2-11-27(12-3-1)40-30-15-4-5-16-31(30)42(37-25-44-38-22-7-6-17-36(38)43(37)40)35-24-23-34-29-19-9-14-26-13-8-18-28(39(26)29)32-20-10-21-33(35)41(32)34/h1-25H
InChIKeyPLOSKEQIBMLBPP-UHFFFAOYSA-N
XLogP11.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.68
LogP ≤ 511.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-[4-(12-naphthalen-2-ylbenzo[j]phenanthridin-7-yl)naphthalen-1-yl]-12-phenylbenzo[j]phenanthridine
CID 59183772
7-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-phenylbenzo[j]phenanthridine
CID 59184043
7-(1,2-dihydroacenaphthylen-5-yl)-12-phenylbenzo[j]phenanthridine
CID 59184104
12-phenyl-7-(4-phenylphenyl)benzo[j]phenanthridine
CID 59183703
7,12-bis(4-naphthalen-1-ylphenyl)benzo[j]phenanthridine
CID 59183884
7-(3-naphthalen-2-ylphenyl)-12-phenylbenzo[j]phenanthridine
CID 59183474
7,12-bis(2-naphthalen-1-ylphenyl)benzo[j]phenanthridine
CID 59182859
12-naphthalen-1-yl-7-(4-naphthalen-2-ylnaphthalen-1-yl)benzo[j]phenanthridine
CID 59183170
7,12-bis(3,4-diphenylphenyl)benzo[j]phenanthridine
CID 59183234
3-[10-[6-(10-quinolin-3-ylanthracen-9-yl)pyren-1-yl]anthracen-9-yl]quinoline
CID 59861508
7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine
CID 59182915
7,12-bis(6-naphthalen-2-ylnaphthalen-2-yl)benzo[j]phenanthridine
CID 59183805

Frequently Asked Questions

What is the IUPAC name of 7-perylen-3-yl-12-phenylbenzo[j]phenanthridine?
The IUPAC name of 7-perylen-3-yl-12-phenylbenzo[j]phenanthridine (CID 59183304) is 7-perylen-3-yl-12-phenylbenzo[j]phenanthridine.
What is the SMILES notation for 7-perylen-3-yl-12-phenylbenzo[j]phenanthridine?
The canonical SMILES for 7-perylen-3-yl-12-phenylbenzo[j]phenanthridine is c1ccc(-c2c3ccccc3c(-c3ccc4c5cccc6cccc(c7cccc3c74)c65)c3cnc4ccccc4c23)cc1.
What is the InChIKey of 7-perylen-3-yl-12-phenylbenzo[j]phenanthridine?
The InChIKey is PLOSKEQIBMLBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N/c1-2-11-27(12-3-1)40-30-15-4-5-16-31(30)42(37-25-44-38-22-7-6-17-36(38)43(37)40)35-24-23-34-29-19-9-14-26-13-8-18-28(39(26)29)32-20-10-21-33(35)41(32)34/h1-25H.
What are the key properties of 7-perylen-3-yl-12-phenylbenzo[j]phenanthridine?
7-perylen-3-yl-12-phenylbenzo[j]phenanthridine has a molecular weight of 555.68 g/mol, XLogP of 11.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-perylen-3-yl-12-phenylbenzo[j]phenanthridine is sourced from PubChem (CID 59183304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).