3-(3-dibenzothiophen-2-yl-9H-fluoren-9-yl)-1-phenylbenzo[f]quinazoline

C43H26N2S — CID 166934048

IUPAC3-(3-dibenzothiophen-2-yl-9H-fluoren-9-yl)-1-phenylbenzo[f]quinazoline
SMILESc1ccc(-c2nc(C3c4ccccc4-c4cc(-c5ccc6sc7ccccc7c6c5)ccc43)nc3ccc4ccccc4c23)cc1
InChIInChI=1S/C43H26N2S/c1-2-11-27(12-3-1)42-41-30-13-5-4-10-26(30)19-22-37(41)44-43(45-42)40-33-16-7-6-14-31(33)35-24-28(18-21-34(35)40)29-20-23-39-36(25-29)32-15-8-9-17-38(32)46-39/h1-25,40H
InChIKeyUBXFVZLYVIFHHB-UHFFFAOYSA-N
MW602.76 g/mol
LogP11.65
Rot. Bonds3

About 3-(3-dibenzothiophen-2-yl-9H-fluoren-9-yl)-1-phenylbenzo[f]quinazoline

3-(3-dibenzothiophen-2-yl-9H-fluoren-9-yl)-1-phenylbenzo[f]quinazoline (PubChem CID 166934048) has the molecular formula C43H26N2S and a molecular weight of 602.76 g/mol. Its IUPAC name is 3-(3-dibenzothiophen-2-yl-9H-fluoren-9-yl)-1-phenylbenzo[f]quinazoline.

Molecular Properties

Compound Name3-(3-dibenzothiophen-2-yl-9H-fluoren-9-yl)-1-phenylbenzo[f]quinazoline
PubChem CID166934048
Molecular FormulaC43H26N2S
Molecular Weight602.76 g/mol
Exact Mass602.18
IUPAC Name3-(3-dibenzothiophen-2-yl-9H-fluoren-9-yl)-1-phenylbenzo[f]quinazoline
SMILESc1ccc(-c2nc(C3c4ccccc4-c4cc(-c5ccc6sc7ccccc7c6c5)ccc43)nc3ccc4ccccc4c23)cc1
InChIInChI=1S/C43H26N2S/c1-2-11-27(12-3-1)42-41-30-13-5-4-10-26(30)19-22-37(41)44-43(45-42)40-33-16-7-6-14-31(33)35-24-28(18-21-34(35)40)29-20-23-39-36(25-29)32-15-8-9-17-38(32)46-39/h1-25,40H
InChIKeyUBXFVZLYVIFHHB-UHFFFAOYSA-N
XLogP11.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.76
LogP ≤ 511.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

13-dibenzothiophen-2-yl-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122524500
1-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[4-[3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline
CID 126632834
2-dibenzothiophen-2-yl-4-phenanthren-4-yl-6-(2-phenylphenyl)-1,3,5-triazine
CID 169278929
2-(2-dibenzothiophen-2-ylphenyl)-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine
CID 165151584
3-[4-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-1-phenylbenzo[f]quinazoline
CID 118529237
2-(3-benzo[c]phenanthren-2-yl-5-dibenzothiophen-2-ylphenyl)dibenzothiophene
CID 121287508
2-dibenzothiophen-2-yl-4-(4-phenanthren-4-ylphenyl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 169278832
2-[3-(6-phenylpyren-1-yl)phenyl]dibenzothiophene
CID 59758526
3-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-1-phenylbenzo[f]quinazoline
CID 146581692
2-chrysen-1-yl-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 168795993
N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline
CID 168846083
4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 171584318

Frequently Asked Questions

What is the IUPAC name of 3-(3-dibenzothiophen-2-yl-9H-fluoren-9-yl)-1-phenylbenzo[f]quinazoline?
The IUPAC name of 3-(3-dibenzothiophen-2-yl-9H-fluoren-9-yl)-1-phenylbenzo[f]quinazoline (CID 166934048) is 3-(3-dibenzothiophen-2-yl-9H-fluoren-9-yl)-1-phenylbenzo[f]quinazoline.
What is the SMILES notation for 3-(3-dibenzothiophen-2-yl-9H-fluoren-9-yl)-1-phenylbenzo[f]quinazoline?
The canonical SMILES for 3-(3-dibenzothiophen-2-yl-9H-fluoren-9-yl)-1-phenylbenzo[f]quinazoline is c1ccc(-c2nc(C3c4ccccc4-c4cc(-c5ccc6sc7ccccc7c6c5)ccc43)nc3ccc4ccccc4c23)cc1.
What is the InChIKey of 3-(3-dibenzothiophen-2-yl-9H-fluoren-9-yl)-1-phenylbenzo[f]quinazoline?
The InChIKey is UBXFVZLYVIFHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2S/c1-2-11-27(12-3-1)42-41-30-13-5-4-10-26(30)19-22-37(41)44-43(45-42)40-33-16-7-6-14-31(33)35-24-28(18-21-34(35)40)29-20-23-39-36(25-29)32-15-8-9-17-38(32)46-39/h1-25,40H.
What are the key properties of 3-(3-dibenzothiophen-2-yl-9H-fluoren-9-yl)-1-phenylbenzo[f]quinazoline?
3-(3-dibenzothiophen-2-yl-9H-fluoren-9-yl)-1-phenylbenzo[f]quinazoline has a molecular weight of 602.76 g/mol, XLogP of 11.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-dibenzothiophen-2-yl-9H-fluoren-9-yl)-1-phenylbenzo[f]quinazoline is sourced from PubChem (CID 166934048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).