2-(3-carbazol-9-yl-5-dibenzothiophen-4-ylphenyl)-4-phenylbenzo[h]quinazoline

C48H29N3S — CID 122497144

IUPAC2-(3-carbazol-9-yl-5-dibenzothiophen-4-ylphenyl)-4-phenylbenzo[h]quinazoline
SMILESc1ccc(-c2nc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-n4c5ccccc5c5ccccc54)c3)nc3c2ccc2ccccc23)cc1
InChIInChI=1S/C48H29N3S/c1-2-14-31(15-3-1)45-41-26-25-30-13-4-5-16-35(30)46(41)50-48(49-45)33-27-32(36-20-12-21-40-39-19-8-11-24-44(39)52-47(36)40)28-34(29-33)51-42-22-9-6-17-37(42)38-18-7-10-23-43(38)51/h1-29H
InChIKeyMPWRFMTVRALJDI-UHFFFAOYSA-N
MW679.85 g/mol
LogP13.25
Rot. Bonds4

About 2-(3-carbazol-9-yl-5-dibenzothiophen-4-ylphenyl)-4-phenylbenzo[h]quinazoline

2-(3-carbazol-9-yl-5-dibenzothiophen-4-ylphenyl)-4-phenylbenzo[h]quinazoline (PubChem CID 122497144) has the molecular formula C48H29N3S and a molecular weight of 679.85 g/mol. Its IUPAC name is 2-(3-carbazol-9-yl-5-dibenzothiophen-4-ylphenyl)-4-phenylbenzo[h]quinazoline.

Molecular Properties

Compound Name2-(3-carbazol-9-yl-5-dibenzothiophen-4-ylphenyl)-4-phenylbenzo[h]quinazoline
PubChem CID122497144
Molecular FormulaC48H29N3S
Molecular Weight679.85 g/mol
Exact Mass679.21
IUPAC Name2-(3-carbazol-9-yl-5-dibenzothiophen-4-ylphenyl)-4-phenylbenzo[h]quinazoline
SMILESc1ccc(-c2nc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-n4c5ccccc5c5ccccc54)c3)nc3c2ccc2ccccc23)cc1
InChIInChI=1S/C48H29N3S/c1-2-14-31(15-3-1)45-41-26-25-30-13-4-5-16-35(30)46(41)50-48(49-45)33-27-32(36-20-12-21-40-39-19-8-11-24-44(39)52-47(36)40)28-34(29-33)51-42-22-9-6-17-37(42)38-18-7-10-23-43(38)51/h1-29H
InChIKeyMPWRFMTVRALJDI-UHFFFAOYSA-N
XLogP13.25
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.85
LogP ≤ 513.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-carbazol-9-yl-5-dibenzothiophen-4-ylphenyl)-4-phenylbenzo[h]quinazoline 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

9-[3-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylcarbazole
CID 146179615
6-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-phenylbenzo[k]phenanthridine;6-(4-carbazol-9-ylphenyl)-4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;4-(3-dibenzothiophen-4-ylphenyl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine
CID 157355348
12-[3-dibenzothiophen-4-yl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 154946479
9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]carbazole;9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole;9-[3-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158652173
9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
CID 67121574
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
2-[4-(6-dibenzothiophen-4-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 164736793
2-naphtho[1,2-b][1]benzothiol-3-yl-4-phenylbenzo[h]quinazoline
CID 155473733
3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
CID 118228376
3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158377536
4-(4-carbazol-9-ylphenyl)-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine;4-(4-dibenzothiophen-4-ylphenyl)-6-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine;4-triphenylen-2-yl-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine
CID 158651732
3-dibenzothiophen-4-yl-9-(2,6-diphenyl-4-pyridinyl)carbazole
CID 155793691

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbazol-9-yl-5-dibenzothiophen-4-ylphenyl)-4-phenylbenzo[h]quinazoline?
The IUPAC name of 2-(3-carbazol-9-yl-5-dibenzothiophen-4-ylphenyl)-4-phenylbenzo[h]quinazoline (CID 122497144) is 2-(3-carbazol-9-yl-5-dibenzothiophen-4-ylphenyl)-4-phenylbenzo[h]quinazoline.
What is the SMILES notation for 2-(3-carbazol-9-yl-5-dibenzothiophen-4-ylphenyl)-4-phenylbenzo[h]quinazoline?
The canonical SMILES for 2-(3-carbazol-9-yl-5-dibenzothiophen-4-ylphenyl)-4-phenylbenzo[h]quinazoline is c1ccc(-c2nc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-n4c5ccccc5c5ccccc54)c3)nc3c2ccc2ccccc23)cc1.
What is the InChIKey of 2-(3-carbazol-9-yl-5-dibenzothiophen-4-ylphenyl)-4-phenylbenzo[h]quinazoline?
The InChIKey is MPWRFMTVRALJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3S/c1-2-14-31(15-3-1)45-41-26-25-30-13-4-5-16-35(30)46(41)50-48(49-45)33-27-32(36-20-12-21-40-39-19-8-11-24-44(39)52-47(36)40)28-34(29-33)51-42-22-9-6-17-37(42)38-18-7-10-23-43(38)51/h1-29H.
What are the key properties of 2-(3-carbazol-9-yl-5-dibenzothiophen-4-ylphenyl)-4-phenylbenzo[h]quinazoline?
2-(3-carbazol-9-yl-5-dibenzothiophen-4-ylphenyl)-4-phenylbenzo[h]quinazoline has a molecular weight of 679.85 g/mol, XLogP of 13.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbazol-9-yl-5-dibenzothiophen-4-ylphenyl)-4-phenylbenzo[h]quinazoline is sourced from PubChem (CID 122497144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).