3-(3-bromophenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine

C40H27BrN2 — CID 134596002

IUPAC3-(3-bromophenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine
SMILESCc1c2c(-c3ccccc3)nc3cc(-c4cccc(Br)c4)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12
InChIInChI=1S/C40H27BrN2/c1-24-35-31-18-9-10-19-33(31)42-39(26-12-5-3-6-13-26)37(35)25(2)36-32-21-20-29(28-16-11-17-30(41)22-28)23-34(32)43-40(38(24)36)27-14-7-4-8-15-27/h3-23H,1-2H3
InChIKeyBYWUAMQSNWTCHK-UHFFFAOYSA-N
MW615.57 g/mol
LogP11.47
Rot. Bonds3

About 3-(3-bromophenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine

3-(3-bromophenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine (PubChem CID 134596002) has the molecular formula C40H27BrN2 and a molecular weight of 615.57 g/mol. Its IUPAC name is 3-(3-bromophenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine.

Molecular Properties

Compound Name3-(3-bromophenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine
PubChem CID134596002
Molecular FormulaC40H27BrN2
Molecular Weight615.57 g/mol
Exact Mass614.14
IUPAC Name3-(3-bromophenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine
SMILESCc1c2c(-c3ccccc3)nc3cc(-c4cccc(Br)c4)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12
InChIInChI=1S/C40H27BrN2/c1-24-35-31-18-9-10-19-33(31)42-39(26-12-5-3-6-13-26)37(35)25(2)36-32-21-20-29(28-16-11-17-30(41)22-28)23-34(32)43-40(38(24)36)27-14-7-4-8-15-27/h3-23H,1-2H3
InChIKeyBYWUAMQSNWTCHK-UHFFFAOYSA-N
XLogP11.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.57
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Benz(c)acridine
CID 9181
DIBENZ(a,h)ACRIDINE
CID 9183
7-Methylbenz(c)acridine
CID 76861
Dibenz(a,c)acridine
CID 9165
7,10-Dimethylbenz(c)acridine
CID 16936
3-Bromo-5-(2-methylquinolin-7-yl)benzonitrile
CID 44432681
12-Phenylbenzo[b]acridine;hydrochloride
CID 137653286
6-Bromo-2,4-diphenylquinoline
CID 632251
BENZ(a)ACRIDINE, 9,10,12-TRIMETHYL-
CID 44341
6-Bromo-2-(4-methylphenyl)-4-phenylquinoline
CID 1913800
4-(6-Bromo-4-phenylquinolin-2-yl)benzonitrile
CID 39860393
6-Bromo-2-cyclohexyl-4-phenylquinoline
CID 134131031

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine?
The IUPAC name of 3-(3-bromophenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine (CID 134596002) is 3-(3-bromophenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine.
What is the SMILES notation for 3-(3-bromophenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine?
The canonical SMILES for 3-(3-bromophenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine is Cc1c2c(-c3ccccc3)nc3cc(-c4cccc(Br)c4)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12.
What is the InChIKey of 3-(3-bromophenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine?
The InChIKey is BYWUAMQSNWTCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27BrN2/c1-24-35-31-18-9-10-19-33(31)42-39(26-12-5-3-6-13-26)37(35)25(2)36-32-21-20-29(28-16-11-17-30(41)22-28)23-34(32)43-40(38(24)36)27-14-7-4-8-15-27/h3-23H,1-2H3.
What are the key properties of 3-(3-bromophenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine?
3-(3-bromophenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine has a molecular weight of 615.57 g/mol, XLogP of 11.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine is sourced from PubChem (CID 134596002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).