7-(4-bromophenyl)-10-methyl-11-[(Z)-prop-1-enyl]benzo[c]acridine

C27H20BrN — CID 139323096

IUPAC7-(4-bromophenyl)-10-methyl-11-[(Z)-prop-1-enyl]benzo[c]acridine
SMILESC/C=C\c1c(C)ccc2c(-c3ccc(Br)cc3)c3ccc4ccccc4c3nc12
InChIInChI=1S/C27H20BrN/c1-3-6-21-17(2)9-15-23-25(19-10-13-20(28)14-11-19)24-16-12-18-7-4-5-8-22(18)27(24)29-26(21)23/h3-16H,1-2H3/b6-3-
InChIKeyZXFRUBMNMPMSFV-UTCJRWHESA-N
MW438.37 g/mol
LogP8.31
Rot. Bonds2

About 7-(4-bromophenyl)-10-methyl-11-[(Z)-prop-1-enyl]benzo[c]acridine

7-(4-bromophenyl)-10-methyl-11-[(Z)-prop-1-enyl]benzo[c]acridine (PubChem CID 139323096) has the molecular formula C27H20BrN and a molecular weight of 438.37 g/mol. Its IUPAC name is 7-(4-bromophenyl)-10-methyl-11-[(Z)-prop-1-enyl]benzo[c]acridine.

Molecular Properties

Compound Name7-(4-bromophenyl)-10-methyl-11-[(Z)-prop-1-enyl]benzo[c]acridine
PubChem CID139323096
Molecular FormulaC27H20BrN
Molecular Weight438.37 g/mol
Exact Mass437.08
IUPAC Name7-(4-bromophenyl)-10-methyl-11-[(Z)-prop-1-enyl]benzo[c]acridine
SMILESC/C=C\c1c(C)ccc2c(-c3ccc(Br)cc3)c3ccc4ccccc4c3nc12
InChIInChI=1S/C27H20BrN/c1-3-6-21-17(2)9-15-23-25(19-10-13-20(28)14-11-19)24-16-12-18-7-4-5-8-22(18)27(24)29-26(21)23/h3-16H,1-2H3/b6-3-
InChIKeyZXFRUBMNMPMSFV-UTCJRWHESA-N
XLogP8.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.37
LogP ≤ 58.31
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

2-methyl-1-prop-1-enylnaphthalene
CID 123646968
5,6-dimethyl-2-[4-[3-methyl-4-[(Z)-prop-1-enyl]acridin-9-yl]phenyl]-4,7-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,3-benzothiazole
CID 144856107
9,10-bis[4-[2-(4-bromophenyl)ethenyl]phenyl]anthracene
CID 142672624
2-chloro-4-dibenzothiophen-2-yl-7-methyl-8-[(Z)-prop-1-enyl]quinazoline;ethane
CID 145442336
2-(4-bromophenyl)-4-naphthalen-1-ylbenzo[h]quinazoline
CID 118529368
10-methyl-11-[(Z)-prop-1-enyl]-12-(3-pyren-1-ylphenyl)benzo[a]acridine
CID 126733957
2-methylnaphthalene-1-carbaldehyde;sulfane
CID 157328712
1,2-bis[(E)-prop-1-enyl]naphthalene
CID 19743380
13-[4-[3-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 134445559
2-(4-bromophenyl)-4-methylnaphthalene-1-carbaldehyde
CID 175304162
N-[4-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 145390574
1-[4-ethenyl-2-methyl-3-[(Z)-prop-1-enyl]phenyl]-2-methylnaphthalene
CID 142261922

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromophenyl)-10-methyl-11-[(Z)-prop-1-enyl]benzo[c]acridine?
The IUPAC name of 7-(4-bromophenyl)-10-methyl-11-[(Z)-prop-1-enyl]benzo[c]acridine (CID 139323096) is 7-(4-bromophenyl)-10-methyl-11-[(Z)-prop-1-enyl]benzo[c]acridine.
What is the SMILES notation for 7-(4-bromophenyl)-10-methyl-11-[(Z)-prop-1-enyl]benzo[c]acridine?
The canonical SMILES for 7-(4-bromophenyl)-10-methyl-11-[(Z)-prop-1-enyl]benzo[c]acridine is C/C=C\c1c(C)ccc2c(-c3ccc(Br)cc3)c3ccc4ccccc4c3nc12.
What is the InChIKey of 7-(4-bromophenyl)-10-methyl-11-[(Z)-prop-1-enyl]benzo[c]acridine?
The InChIKey is ZXFRUBMNMPMSFV-UTCJRWHESA-N. The full InChI is InChI=1S/C27H20BrN/c1-3-6-21-17(2)9-15-23-25(19-10-13-20(28)14-11-19)24-16-12-18-7-4-5-8-22(18)27(24)29-26(21)23/h3-16H,1-2H3/b6-3-.
What are the key properties of 7-(4-bromophenyl)-10-methyl-11-[(Z)-prop-1-enyl]benzo[c]acridine?
7-(4-bromophenyl)-10-methyl-11-[(Z)-prop-1-enyl]benzo[c]acridine has a molecular weight of 438.37 g/mol, XLogP of 8.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromophenyl)-10-methyl-11-[(Z)-prop-1-enyl]benzo[c]acridine is sourced from PubChem (CID 139323096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).