7-(1,2-dihydroacenaphthylen-5-yl)-12-phenylbenzo[j]phenanthridine

C35H23N — CID 59184104

IUPAC7-(1,2-dihydroacenaphthylen-5-yl)-12-phenylbenzo[j]phenanthridine
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c5c(cccc35)CC4)c3cnc4ccccc4c23)cc1
InChIInChI=1S/C35H23N/c1-2-9-22(10-3-1)33-26-12-4-5-13-27(26)34(30-21-36-31-16-7-6-14-29(31)35(30)33)28-20-19-24-18-17-23-11-8-15-25(28)32(23)24/h1-16,19-21H,17-18H2
InChIKeyWEEYIDVVJZOSAU-UHFFFAOYSA-N
MW457.58 g/mol
LogP9.13
Rot. Bonds2

About 7-(1,2-dihydroacenaphthylen-5-yl)-12-phenylbenzo[j]phenanthridine

7-(1,2-dihydroacenaphthylen-5-yl)-12-phenylbenzo[j]phenanthridine (PubChem CID 59184104) has the molecular formula C35H23N and a molecular weight of 457.58 g/mol. Its IUPAC name is 7-(1,2-dihydroacenaphthylen-5-yl)-12-phenylbenzo[j]phenanthridine.

Molecular Properties

Compound Name7-(1,2-dihydroacenaphthylen-5-yl)-12-phenylbenzo[j]phenanthridine
PubChem CID59184104
Molecular FormulaC35H23N
Molecular Weight457.58 g/mol
Exact Mass457.18
IUPAC Name7-(1,2-dihydroacenaphthylen-5-yl)-12-phenylbenzo[j]phenanthridine
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c5c(cccc35)CC4)c3cnc4ccccc4c23)cc1
InChIInChI=1S/C35H23N/c1-2-9-22(10-3-1)33-26-12-4-5-13-27(26)34(30-21-36-31-16-7-6-14-29(31)35(30)33)28-20-19-24-18-17-23-11-8-15-25(28)32(23)24/h1-16,19-21H,17-18H2
InChIKeyWEEYIDVVJZOSAU-UHFFFAOYSA-N
XLogP9.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.58
LogP ≤ 59.13
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-perylen-3-yl-12-phenylbenzo[j]phenanthridine
CID 59183304
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-[4-(12-naphthalen-2-ylbenzo[j]phenanthridin-7-yl)naphthalen-1-yl]-12-phenylbenzo[j]phenanthridine
CID 59183772
7-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-12-phenylbenzo[j]phenanthridine
CID 59183069
7,12-bis(3,4-diphenylphenyl)benzo[j]phenanthridine
CID 59183234
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(9,9-dimethyl-7-phenylfluoren-2-yl)benzo[j]phenanthridine
CID 59183083
12-naphthalen-1-yl-7-(4-naphthalen-2-ylnaphthalen-1-yl)benzo[j]phenanthridine
CID 59183170
7,12-bis(2-naphthalen-1-ylphenyl)benzo[j]phenanthridine
CID 59182859
7,12-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]benzo[j]phenanthridine
CID 59183936

Frequently Asked Questions

What is the IUPAC name of 7-(1,2-dihydroacenaphthylen-5-yl)-12-phenylbenzo[j]phenanthridine?
The IUPAC name of 7-(1,2-dihydroacenaphthylen-5-yl)-12-phenylbenzo[j]phenanthridine (CID 59184104) is 7-(1,2-dihydroacenaphthylen-5-yl)-12-phenylbenzo[j]phenanthridine.
What is the SMILES notation for 7-(1,2-dihydroacenaphthylen-5-yl)-12-phenylbenzo[j]phenanthridine?
The canonical SMILES for 7-(1,2-dihydroacenaphthylen-5-yl)-12-phenylbenzo[j]phenanthridine is c1ccc(-c2c3ccccc3c(-c3ccc4c5c(cccc35)CC4)c3cnc4ccccc4c23)cc1.
What is the InChIKey of 7-(1,2-dihydroacenaphthylen-5-yl)-12-phenylbenzo[j]phenanthridine?
The InChIKey is WEEYIDVVJZOSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N/c1-2-9-22(10-3-1)33-26-12-4-5-13-27(26)34(30-21-36-31-16-7-6-14-29(31)35(30)33)28-20-19-24-18-17-23-11-8-15-25(28)32(23)24/h1-16,19-21H,17-18H2.
What are the key properties of 7-(1,2-dihydroacenaphthylen-5-yl)-12-phenylbenzo[j]phenanthridine?
7-(1,2-dihydroacenaphthylen-5-yl)-12-phenylbenzo[j]phenanthridine has a molecular weight of 457.58 g/mol, XLogP of 9.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,2-dihydroacenaphthylen-5-yl)-12-phenylbenzo[j]phenanthridine is sourced from PubChem (CID 59184104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).