7-bromo-2-(9-phenylphenanthren-2-yl)dibenzothiophene

C32H19BrS — CID 130452327

IUPAC7-bromo-2-(9-phenylphenanthren-2-yl)dibenzothiophene
SMILESBrc1ccc2c(c1)sc1ccc(-c3ccc4c(c3)cc(-c3ccccc3)c3ccccc34)cc12
InChIInChI=1S/C32H19BrS/c33-24-12-14-28-30-17-22(11-15-31(30)34-32(28)19-24)21-10-13-25-23(16-21)18-29(20-6-2-1-3-7-20)27-9-5-4-8-26(25)27/h1-19H
InChIKeySSYMIICEVRNOLE-UHFFFAOYSA-N
MW515.48 g/mol
LogP10.46
Rot. Bonds2

About 7-bromo-2-(9-phenylphenanthren-2-yl)dibenzothiophene

7-bromo-2-(9-phenylphenanthren-2-yl)dibenzothiophene (PubChem CID 130452327) has the molecular formula C32H19BrS and a molecular weight of 515.48 g/mol. Its IUPAC name is 7-bromo-2-(9-phenylphenanthren-2-yl)dibenzothiophene.

Molecular Properties

Compound Name7-bromo-2-(9-phenylphenanthren-2-yl)dibenzothiophene
PubChem CID130452327
Molecular FormulaC32H19BrS
Molecular Weight515.48 g/mol
Exact Mass514.04
IUPAC Name7-bromo-2-(9-phenylphenanthren-2-yl)dibenzothiophene
SMILESBrc1ccc2c(c1)sc1ccc(-c3ccc4c(c3)cc(-c3ccccc3)c3ccccc34)cc12
InChIInChI=1S/C32H19BrS/c33-24-12-14-28-30-17-22(11-15-31(30)34-32(28)19-24)21-10-13-25-23(16-21)18-29(20-6-2-1-3-7-20)27-9-5-4-8-26(25)27/h1-19H
InChIKeySSYMIICEVRNOLE-UHFFFAOYSA-N
XLogP10.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.48
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-bromo-2-(9-phenylphenanthren-2-yl)dibenzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-8-[7-(8-phenyldibenzothiophen-2-yl)triphenylen-2-yl]dibenzothiophene
CID 144568506
2-phenanthren-9-yl-8-(10-phenylanthracen-9-yl)dibenzothiophene
CID 162423752
2-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophene
CID 90295288
2-[3-[7-(3-dibenzothiophen-2-ylphenyl)triphenylen-2-yl]phenyl]dibenzothiophene
CID 118490703
14-phenyl-10-thiapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 123937944
20-[3-(8-phenyldibenzothiophen-2-yl)phenyl]-23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 155006729
2,4-diphenyl-6-[8-[4-(4-triphenylen-2-ylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 149451405
2-bromodibenzothiophene;dibenzothiophene
CID 158379286
8-bromo-1-dibenzothiophen-3-yldibenzothiophene
CID 170180168
N-(4-dibenzothiophen-2-ylphenyl)-5-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 167233880
2-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]dibenzothiophene
CID 59629408
7-naphthalen-2-yl-2-phenanthren-9-yl-9-phenylphenanthrene
CID 59390470

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(9-phenylphenanthren-2-yl)dibenzothiophene?
The IUPAC name of 7-bromo-2-(9-phenylphenanthren-2-yl)dibenzothiophene (CID 130452327) is 7-bromo-2-(9-phenylphenanthren-2-yl)dibenzothiophene.
What is the SMILES notation for 7-bromo-2-(9-phenylphenanthren-2-yl)dibenzothiophene?
The canonical SMILES for 7-bromo-2-(9-phenylphenanthren-2-yl)dibenzothiophene is Brc1ccc2c(c1)sc1ccc(-c3ccc4c(c3)cc(-c3ccccc3)c3ccccc34)cc12.
What is the InChIKey of 7-bromo-2-(9-phenylphenanthren-2-yl)dibenzothiophene?
The InChIKey is SSYMIICEVRNOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19BrS/c33-24-12-14-28-30-17-22(11-15-31(30)34-32(28)19-24)21-10-13-25-23(16-21)18-29(20-6-2-1-3-7-20)27-9-5-4-8-26(25)27/h1-19H.
What are the key properties of 7-bromo-2-(9-phenylphenanthren-2-yl)dibenzothiophene?
7-bromo-2-(9-phenylphenanthren-2-yl)dibenzothiophene has a molecular weight of 515.48 g/mol, XLogP of 10.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(9-phenylphenanthren-2-yl)dibenzothiophene is sourced from PubChem (CID 130452327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).