10-[3-[5-methyl-4-(3-phenoxazin-10-ylphenyl)-[1]benzothiolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine

C55H35N3O2S — CID 139312065

IUPAC10-[3-[5-methyl-4-(3-phenoxazin-10-ylphenyl)-[1]benzothiolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine
SMILESCn1c2c(-c3cccc(N4c5ccccc5Oc5ccccc54)c3)cccc2c2c3sc4ccccc4c3cc(-c3cccc(N4c5ccccc5Oc5ccccc54)c3)c21
InChIInChI=1S/C55H35N3O2S/c1-56-53-38(34-15-12-17-36(31-34)57-43-22-3-7-26-47(43)59-48-27-8-4-23-44(48)57)20-14-21-40(53)52-54(56)41(33-42-39-19-2-11-30-51(39)61-55(42)52)35-16-13-18-37(32-35)58-45-24-5-9-28-49(45)60-50-29-10-6-25-46(50)58/h2-33H,1H3
InChIKeyMPXXGDBUAKHCIK-UHFFFAOYSA-N
MW801.97 g/mol
LogP16.18
Rot. Bonds4

About 10-[3-[5-methyl-4-(3-phenoxazin-10-ylphenyl)-[1]benzothiolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine

10-[3-[5-methyl-4-(3-phenoxazin-10-ylphenyl)-[1]benzothiolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine (PubChem CID 139312065) has the molecular formula C55H35N3O2S and a molecular weight of 801.97 g/mol. Its IUPAC name is 10-[3-[5-methyl-4-(3-phenoxazin-10-ylphenyl)-[1]benzothiolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-[5-methyl-4-(3-phenoxazin-10-ylphenyl)-[1]benzothiolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine
PubChem CID139312065
Molecular FormulaC55H35N3O2S
Molecular Weight801.97 g/mol
Exact Mass801.24
IUPAC Name10-[3-[5-methyl-4-(3-phenoxazin-10-ylphenyl)-[1]benzothiolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine
SMILESCn1c2c(-c3cccc(N4c5ccccc5Oc5ccccc54)c3)cccc2c2c3sc4ccccc4c3cc(-c3cccc(N4c5ccccc5Oc5ccccc54)c3)c21
InChIInChI=1S/C55H35N3O2S/c1-56-53-38(34-15-12-17-36(31-34)57-43-22-3-7-26-47(43)59-48-27-8-4-23-44(48)57)20-14-21-40(53)52-54(56)41(33-42-39-19-2-11-30-51(39)61-55(42)52)35-16-13-18-37(32-35)58-45-24-5-9-28-49(45)60-50-29-10-6-25-46(50)58/h2-33H,1H3
InChIKeyMPXXGDBUAKHCIK-UHFFFAOYSA-N
XLogP16.18
TPSA29.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.97
LogP ≤ 516.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,8-bis[3-(3,5-diphenylphenyl)phenyl]-9-methylcarbazole;1,8-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-methylcarbazole;10-[3-[9-methyl-8-(3-phenoxazin-10-ylphenyl)carbazol-1-yl]phenyl]phenoxazine;10-[4-[9-methyl-8-(4-phenoxazin-10-ylphenyl)carbazol-1-yl]phenyl]phenoxazine
CID 157430617
10-[3-[2,8-dimethyl-6-(3-phenoxazin-10-ylphenyl)dibenzofuran-4-yl]phenyl]phenoxazine
CID 139312041
10-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]phenoxazine
CID 165060457
10-(3-dibenzothiophen-4-ylphenyl)-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 126605227
14-phenyl-11-(3-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-9-thia-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513295
10-[4-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 164795662
10-dibenzothiophen-3-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)phenoxazin-3-amine
CID 164811783
N,N-bis[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-phenylaniline
CID 122425451
N-[4-(3-phenoxazin-10-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 122425440
2-dibenzothiophen-2-yl-12-(3-phenylphenyl)benzo[b]phenoxazine
CID 155791078
10-(9-methyl-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine
CID 122608600
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

Frequently Asked Questions

What is the IUPAC name of 10-[3-[5-methyl-4-(3-phenoxazin-10-ylphenyl)-[1]benzothiolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine?
The IUPAC name of 10-[3-[5-methyl-4-(3-phenoxazin-10-ylphenyl)-[1]benzothiolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine (CID 139312065) is 10-[3-[5-methyl-4-(3-phenoxazin-10-ylphenyl)-[1]benzothiolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[3-[5-methyl-4-(3-phenoxazin-10-ylphenyl)-[1]benzothiolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[3-[5-methyl-4-(3-phenoxazin-10-ylphenyl)-[1]benzothiolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine is Cn1c2c(-c3cccc(N4c5ccccc5Oc5ccccc54)c3)cccc2c2c3sc4ccccc4c3cc(-c3cccc(N4c5ccccc5Oc5ccccc54)c3)c21.
What is the InChIKey of 10-[3-[5-methyl-4-(3-phenoxazin-10-ylphenyl)-[1]benzothiolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine?
The InChIKey is MPXXGDBUAKHCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3O2S/c1-56-53-38(34-15-12-17-36(31-34)57-43-22-3-7-26-47(43)59-48-27-8-4-23-44(48)57)20-14-21-40(53)52-54(56)41(33-42-39-19-2-11-30-51(39)61-55(42)52)35-16-13-18-37(32-35)58-45-24-5-9-28-49(45)60-50-29-10-6-25-46(50)58/h2-33H,1H3.
What are the key properties of 10-[3-[5-methyl-4-(3-phenoxazin-10-ylphenyl)-[1]benzothiolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine?
10-[3-[5-methyl-4-(3-phenoxazin-10-ylphenyl)-[1]benzothiolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine has a molecular weight of 801.97 g/mol, XLogP of 16.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[5-methyl-4-(3-phenoxazin-10-ylphenyl)-[1]benzothiolo[3,2-c]carbazol-6-yl]phenyl]phenoxazine is sourced from PubChem (CID 139312065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).