2-dibenzothiophen-2-yl-12-(3-phenylphenyl)benzo[b]phenoxazine

C40H25NOS — CID 155791078

IUPAC2-dibenzothiophen-2-yl-12-(3-phenylphenyl)benzo[b]phenoxazine
SMILESc1ccc(-c2cccc(N3c4cc(-c5ccc6sc7ccccc7c6c5)ccc4Oc4cc5ccccc5cc43)c2)cc1
InChIInChI=1S/C40H25NOS/c1-2-9-26(10-3-1)27-13-8-14-32(21-27)41-35-24-31(30-18-20-40-34(22-30)33-15-6-7-16-39(33)43-40)17-19-37(35)42-38-25-29-12-5-4-11-28(29)23-36(38)41/h1-25H
InChIKeyIKHOPGYGZRFCPQ-UHFFFAOYSA-N
MW567.71 g/mol
LogP12.12
Rot. Bonds3

About 2-dibenzothiophen-2-yl-12-(3-phenylphenyl)benzo[b]phenoxazine

2-dibenzothiophen-2-yl-12-(3-phenylphenyl)benzo[b]phenoxazine (PubChem CID 155791078) has the molecular formula C40H25NOS and a molecular weight of 567.71 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-12-(3-phenylphenyl)benzo[b]phenoxazine.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-12-(3-phenylphenyl)benzo[b]phenoxazine
PubChem CID155791078
Molecular FormulaC40H25NOS
Molecular Weight567.71 g/mol
Exact Mass567.17
IUPAC Name2-dibenzothiophen-2-yl-12-(3-phenylphenyl)benzo[b]phenoxazine
SMILESc1ccc(-c2cccc(N3c4cc(-c5ccc6sc7ccccc7c6c5)ccc4Oc4cc5ccccc5cc43)c2)cc1
InChIInChI=1S/C40H25NOS/c1-2-9-26(10-3-1)27-13-8-14-32(21-27)41-35-24-31(30-18-20-40-34(22-30)33-15-6-7-16-39(33)43-40)17-19-37(35)42-38-25-29-12-5-4-11-28(29)23-36(38)41/h1-25H
InChIKeyIKHOPGYGZRFCPQ-UHFFFAOYSA-N
XLogP12.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.71
LogP ≤ 512.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

17-(1,3-benzoxazol-2-yl)-14-[3-(1,3-benzoxazol-2-yl)phenyl]-7-dibenzothiophen-2-yl-21-oxa-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaene
CID 162785394
10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-2,7-diphenylacridine
CID 71003882
10-(4-dibenzothiophen-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-dibenzothiophen-2-ylphenyl)-3,7-diphenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-methyl-7-phenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)phenoxazine
CID 160540882
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 146577847
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzofuran-2-yl-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-naphthalen-2-ylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 158742909
15-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene
CID 129289172
4-[4-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)phenyl]-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline
CID 129134093
3-[9-(3-dibenzothiophen-2-ylphenyl)-6-phenylcarbazol-3-yl]oxy-6,9-diphenylcarbazole
CID 71232541
3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine
CID 134475961
10-dibenzothiophen-3-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)phenoxazin-3-amine
CID 164811783
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158199615

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-12-(3-phenylphenyl)benzo[b]phenoxazine?
The IUPAC name of 2-dibenzothiophen-2-yl-12-(3-phenylphenyl)benzo[b]phenoxazine (CID 155791078) is 2-dibenzothiophen-2-yl-12-(3-phenylphenyl)benzo[b]phenoxazine.
What is the SMILES notation for 2-dibenzothiophen-2-yl-12-(3-phenylphenyl)benzo[b]phenoxazine?
The canonical SMILES for 2-dibenzothiophen-2-yl-12-(3-phenylphenyl)benzo[b]phenoxazine is c1ccc(-c2cccc(N3c4cc(-c5ccc6sc7ccccc7c6c5)ccc4Oc4cc5ccccc5cc43)c2)cc1.
What is the InChIKey of 2-dibenzothiophen-2-yl-12-(3-phenylphenyl)benzo[b]phenoxazine?
The InChIKey is IKHOPGYGZRFCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NOS/c1-2-9-26(10-3-1)27-13-8-14-32(21-27)41-35-24-31(30-18-20-40-34(22-30)33-15-6-7-16-39(33)43-40)17-19-37(35)42-38-25-29-12-5-4-11-28(29)23-36(38)41/h1-25H.
What are the key properties of 2-dibenzothiophen-2-yl-12-(3-phenylphenyl)benzo[b]phenoxazine?
2-dibenzothiophen-2-yl-12-(3-phenylphenyl)benzo[b]phenoxazine has a molecular weight of 567.71 g/mol, XLogP of 12.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-2-yl-12-(3-phenylphenyl)benzo[b]phenoxazine is sourced from PubChem (CID 155791078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).