7-(4-methylphenyl)-12-naphthalen-2-ylbenzo[j]phenanthridine

C34H23N — CID 59183166

IUPAC7-(4-methylphenyl)-12-naphthalen-2-ylbenzo[j]phenanthridine
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3c2cnc2ccccc23)cc1
InChIInChI=1S/C34H23N/c1-22-14-16-24(17-15-22)32-27-10-4-5-11-28(27)33(26-19-18-23-8-2-3-9-25(23)20-26)34-29-12-6-7-13-31(29)35-21-30(32)34/h2-21H,1H3
InChIKeyUTLMAEFCXJZUTR-UHFFFAOYSA-N
MW445.57 g/mol
LogP9.34
Rot. Bonds2

About 7-(4-methylphenyl)-12-naphthalen-2-ylbenzo[j]phenanthridine

7-(4-methylphenyl)-12-naphthalen-2-ylbenzo[j]phenanthridine (PubChem CID 59183166) has the molecular formula C34H23N and a molecular weight of 445.57 g/mol. Its IUPAC name is 7-(4-methylphenyl)-12-naphthalen-2-ylbenzo[j]phenanthridine.

Molecular Properties

Compound Name7-(4-methylphenyl)-12-naphthalen-2-ylbenzo[j]phenanthridine
PubChem CID59183166
Molecular FormulaC34H23N
Molecular Weight445.57 g/mol
Exact Mass445.18
IUPAC Name7-(4-methylphenyl)-12-naphthalen-2-ylbenzo[j]phenanthridine
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3c2cnc2ccccc23)cc1
InChIInChI=1S/C34H23N/c1-22-14-16-24(17-15-22)32-27-10-4-5-11-28(27)33(26-19-18-23-8-2-3-9-25(23)20-26)34-29-12-6-7-13-31(29)35-21-30(32)34/h2-21H,1H3
InChIKeyUTLMAEFCXJZUTR-UHFFFAOYSA-N
XLogP9.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.57
LogP ≤ 59.34
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

7,12-bis(6-naphthalen-2-ylnaphthalen-2-yl)benzo[j]phenanthridine
CID 59183805
7-(3-naphthalen-2-ylphenyl)-12-phenylbenzo[j]phenanthridine
CID 59183474
7-[4-(12-naphthalen-2-ylbenzo[j]phenanthridin-7-yl)naphthalen-1-yl]-12-phenylbenzo[j]phenanthridine
CID 59183772
7-[9,9-dimethyl-7-(12-naphthalen-2-ylbenzo[j]phenanthridin-7-yl)fluoren-2-yl]-12-naphthalen-2-ylbenzo[j]phenanthridine
CID 59182996
7-(2,4-dimethylphenyl)-12-naphthalen-2-ylbenzo[j]phenanthridine;7-(3,4-dimethylphenyl)-12-naphthalen-2-ylbenzo[j]phenanthridine;7-(2-methylphenyl)-12-naphthalen-2-ylbenzo[j]phenanthridine;7-(3-methylphenyl)-12-naphthalen-2-ylbenzo[j]phenanthridine;7-(4-methylphenyl)-12-naphthalen-2-ylbenzo[j]phenanthridine;12-naphthalen-2-yl-7-(3,4,5-trimethylphenyl)benzo[j]phenanthridine
CID 158122690
7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine
CID 59182915
12-naphthalen-1-yl-7-(4-naphthalen-2-ylnaphthalen-1-yl)benzo[j]phenanthridine
CID 59183170
12-phenyl-7-(4-phenylphenyl)benzo[j]phenanthridine
CID 59183703
7-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-phenylbenzo[j]phenanthridine
CID 59184043
7,12-bis(4-naphthalen-1-ylphenyl)benzo[j]phenanthridine
CID 59183884
7,12-bis[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]benzo[j]phenanthridine
CID 59183754
2-(5-methyl-2-pyridinyl)-5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 88554691

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylphenyl)-12-naphthalen-2-ylbenzo[j]phenanthridine?
The IUPAC name of 7-(4-methylphenyl)-12-naphthalen-2-ylbenzo[j]phenanthridine (CID 59183166) is 7-(4-methylphenyl)-12-naphthalen-2-ylbenzo[j]phenanthridine.
What is the SMILES notation for 7-(4-methylphenyl)-12-naphthalen-2-ylbenzo[j]phenanthridine?
The canonical SMILES for 7-(4-methylphenyl)-12-naphthalen-2-ylbenzo[j]phenanthridine is Cc1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3c2cnc2ccccc23)cc1.
What is the InChIKey of 7-(4-methylphenyl)-12-naphthalen-2-ylbenzo[j]phenanthridine?
The InChIKey is UTLMAEFCXJZUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N/c1-22-14-16-24(17-15-22)32-27-10-4-5-11-28(27)33(26-19-18-23-8-2-3-9-25(23)20-26)34-29-12-6-7-13-31(29)35-21-30(32)34/h2-21H,1H3.
What are the key properties of 7-(4-methylphenyl)-12-naphthalen-2-ylbenzo[j]phenanthridine?
7-(4-methylphenyl)-12-naphthalen-2-ylbenzo[j]phenanthridine has a molecular weight of 445.57 g/mol, XLogP of 9.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylphenyl)-12-naphthalen-2-ylbenzo[j]phenanthridine is sourced from PubChem (CID 59183166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).