3-carbazol-9-yl-10-(3-isoquinolin-1-ylphenyl)-7-thiophen-2-ylphenoxazine

C43H27N3OS — CID 140607109

IUPAC3-carbazol-9-yl-10-(3-isoquinolin-1-ylphenyl)-7-thiophen-2-ylphenoxazine
SMILESc1cc(-c2nccc3ccccc23)cc(N2c3ccc(-c4cccs4)cc3Oc3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/C43H27N3OS/c1-2-12-33-28(9-1)22-23-44-43(33)30-10-7-11-31(25-30)46-38-20-18-29(42-17-8-24-48-42)26-40(38)47-41-27-32(19-21-39(41)46)45-36-15-5-3-13-34(36)35-14-4-6-16-37(35)45/h1-27H
InChIKeyFFYNDTBSKUETTR-UHFFFAOYSA-N
MW633.78 g/mol
LogP12.30
Rot. Bonds4

About 3-carbazol-9-yl-10-(3-isoquinolin-1-ylphenyl)-7-thiophen-2-ylphenoxazine

3-carbazol-9-yl-10-(3-isoquinolin-1-ylphenyl)-7-thiophen-2-ylphenoxazine (PubChem CID 140607109) has the molecular formula C43H27N3OS and a molecular weight of 633.78 g/mol. Its IUPAC name is 3-carbazol-9-yl-10-(3-isoquinolin-1-ylphenyl)-7-thiophen-2-ylphenoxazine.

Molecular Properties

Compound Name3-carbazol-9-yl-10-(3-isoquinolin-1-ylphenyl)-7-thiophen-2-ylphenoxazine
PubChem CID140607109
Molecular FormulaC43H27N3OS
Molecular Weight633.78 g/mol
Exact Mass633.19
IUPAC Name3-carbazol-9-yl-10-(3-isoquinolin-1-ylphenyl)-7-thiophen-2-ylphenoxazine
SMILESc1cc(-c2nccc3ccccc23)cc(N2c3ccc(-c4cccs4)cc3Oc3cc(-n4c5ccccc5c5ccccc54)ccc32)c1
InChIInChI=1S/C43H27N3OS/c1-2-12-33-28(9-1)22-23-44-43(33)30-10-7-11-31(25-30)46-38-20-18-29(42-17-8-24-48-42)26-40(38)47-41-27-32(19-21-39(41)46)45-36-15-5-3-13-34(36)35-14-4-6-16-37(35)45/h1-27H
InChIKeyFFYNDTBSKUETTR-UHFFFAOYSA-N
XLogP12.30
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.78
LogP ≤ 512.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-[3-(3-isoquinolin-1-ylphenyl)phenyl]-5-phenylphenyl]carbazole
CID 140587089
9-(3-isoquinolin-1-ylphenyl)-3,6-dimethylcarbazole
CID 140607078
10-(4-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134475798
10-(3-isoquinolin-1-ylphenyl)-3-methylthieno[2,3-a]carbazole
CID 129290243
3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine
CID 134475961
7-(4-phenylphenyl)-10-[9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]benzo[c]phenoxazine
CID 155791171
3-[3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]phenyl]-10-phenylphenoxazine
CID 134475859
9-[3-[3-[2-(3-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 122433877
3,7-di(carbazol-9-yl)-10-[7-[3,7-di(carbazol-9-yl)phenoxazin-10-yl]pyrazino[2,3-f][1,10]phenanthrolin-10-yl]phenoxazine
CID 129089164
11-(3-isoquinolin-1-ylphenyl)-3,8-dimethyl-5,6-dihydrobenzo[b][1]benzazepine
CID 140607034
5-phenyl-11-[3-(5-thiophen-2-ylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole
CID 130417409
2,8-di(carbazol-9-yl)-10-phenylphenoxazine
CID 126612244

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-10-(3-isoquinolin-1-ylphenyl)-7-thiophen-2-ylphenoxazine?
The IUPAC name of 3-carbazol-9-yl-10-(3-isoquinolin-1-ylphenyl)-7-thiophen-2-ylphenoxazine (CID 140607109) is 3-carbazol-9-yl-10-(3-isoquinolin-1-ylphenyl)-7-thiophen-2-ylphenoxazine.
What is the SMILES notation for 3-carbazol-9-yl-10-(3-isoquinolin-1-ylphenyl)-7-thiophen-2-ylphenoxazine?
The canonical SMILES for 3-carbazol-9-yl-10-(3-isoquinolin-1-ylphenyl)-7-thiophen-2-ylphenoxazine is c1cc(-c2nccc3ccccc23)cc(N2c3ccc(-c4cccs4)cc3Oc3cc(-n4c5ccccc5c5ccccc54)ccc32)c1.
What is the InChIKey of 3-carbazol-9-yl-10-(3-isoquinolin-1-ylphenyl)-7-thiophen-2-ylphenoxazine?
The InChIKey is FFYNDTBSKUETTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3OS/c1-2-12-33-28(9-1)22-23-44-43(33)30-10-7-11-31(25-30)46-38-20-18-29(42-17-8-24-48-42)26-40(38)47-41-27-32(19-21-39(41)46)45-36-15-5-3-13-34(36)35-14-4-6-16-37(35)45/h1-27H.
What are the key properties of 3-carbazol-9-yl-10-(3-isoquinolin-1-ylphenyl)-7-thiophen-2-ylphenoxazine?
3-carbazol-9-yl-10-(3-isoquinolin-1-ylphenyl)-7-thiophen-2-ylphenoxazine has a molecular weight of 633.78 g/mol, XLogP of 12.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-10-(3-isoquinolin-1-ylphenyl)-7-thiophen-2-ylphenoxazine is sourced from PubChem (CID 140607109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).