10-dibenzothiophen-3-yl-N-phenyl-N-(9-phenylcarbazol-2-yl)phenoxazin-3-amine

C48H31N3OS — CID 164811785

IUPAC10-dibenzothiophen-3-yl-N-phenyl-N-(9-phenylcarbazol-2-yl)phenoxazin-3-amine
SMILESc1ccc(N(c2ccc3c(c2)Oc2ccccc2N3c2ccc3c(c2)sc2ccccc23)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C48H31N3OS/c1-3-13-32(14-4-1)49(34-23-26-38-37-17-7-9-19-41(37)50(44(38)29-34)33-15-5-2-6-16-33)35-25-28-43-46(30-35)52-45-21-11-10-20-42(45)51(43)36-24-27-40-39-18-8-12-22-47(39)53-48(40)31-36/h1-31H
InChIKeyLOKLUBCVRMOUKD-UHFFFAOYSA-N
MW697.86 g/mol
LogP14.20
Rot. Bonds5

About 10-dibenzothiophen-3-yl-N-phenyl-N-(9-phenylcarbazol-2-yl)phenoxazin-3-amine

10-dibenzothiophen-3-yl-N-phenyl-N-(9-phenylcarbazol-2-yl)phenoxazin-3-amine (PubChem CID 164811785) has the molecular formula C48H31N3OS and a molecular weight of 697.86 g/mol. Its IUPAC name is 10-dibenzothiophen-3-yl-N-phenyl-N-(9-phenylcarbazol-2-yl)phenoxazin-3-amine.

Molecular Properties

Compound Name10-dibenzothiophen-3-yl-N-phenyl-N-(9-phenylcarbazol-2-yl)phenoxazin-3-amine
PubChem CID164811785
Molecular FormulaC48H31N3OS
Molecular Weight697.86 g/mol
Exact Mass697.22
IUPAC Name10-dibenzothiophen-3-yl-N-phenyl-N-(9-phenylcarbazol-2-yl)phenoxazin-3-amine
SMILESc1ccc(N(c2ccc3c(c2)Oc2ccccc2N3c2ccc3c(c2)sc2ccccc23)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C48H31N3OS/c1-3-13-32(14-4-1)49(34-23-26-38-37-17-7-9-19-41(37)50(44(38)29-34)33-15-5-2-6-16-33)35-25-28-43-46(30-35)52-45-21-11-10-20-42(45)51(43)36-24-27-40-39-18-8-12-22-47(39)53-48(40)31-36/h1-31H
InChIKeyLOKLUBCVRMOUKD-UHFFFAOYSA-N
XLogP14.20
TPSA20.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.86
LogP ≤ 514.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-dibenzothiophen-3-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)phenoxazin-3-amine
CID 164811783
N-(4-carbazol-9-ylphenyl)-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine
CID 163707720
N-(4-carbazol-9-ylphenyl)-10-dibenzofuran-3-yl-N-(3-phenylphenyl)phenoxazin-3-amine;N-dibenzofuran-2-yl-10-dibenzofuran-3-yl-N-(3-phenylphenyl)phenoxazin-3-amine;10-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-N-(3-phenylphenyl)phenoxazin-3-amine
CID 165094290
N-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine
CID 118333318
N-dibenzofuran-2-yl-10-dibenzothiophen-3-yl-N-(4-phenylphenyl)phenoxazin-3-amine
CID 163553739
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 155396635
N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-amine
CID 90050804
N,N-diphenyl-4-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline
CID 147912487
N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 129085131
N,N-diphenyl-8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-amine
CID 145430526
3-N-dibenzothiophen-3-yl-1-N-phenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 158726355
N-dibenzothiophen-1-yl-N-(9-phenylcarbazol-3-yl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
CID 155428428

Frequently Asked Questions

What is the IUPAC name of 10-dibenzothiophen-3-yl-N-phenyl-N-(9-phenylcarbazol-2-yl)phenoxazin-3-amine?
The IUPAC name of 10-dibenzothiophen-3-yl-N-phenyl-N-(9-phenylcarbazol-2-yl)phenoxazin-3-amine (CID 164811785) is 10-dibenzothiophen-3-yl-N-phenyl-N-(9-phenylcarbazol-2-yl)phenoxazin-3-amine.
What is the SMILES notation for 10-dibenzothiophen-3-yl-N-phenyl-N-(9-phenylcarbazol-2-yl)phenoxazin-3-amine?
The canonical SMILES for 10-dibenzothiophen-3-yl-N-phenyl-N-(9-phenylcarbazol-2-yl)phenoxazin-3-amine is c1ccc(N(c2ccc3c(c2)Oc2ccccc2N3c2ccc3c(c2)sc2ccccc23)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 10-dibenzothiophen-3-yl-N-phenyl-N-(9-phenylcarbazol-2-yl)phenoxazin-3-amine?
The InChIKey is LOKLUBCVRMOUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3OS/c1-3-13-32(14-4-1)49(34-23-26-38-37-17-7-9-19-41(37)50(44(38)29-34)33-15-5-2-6-16-33)35-25-28-43-46(30-35)52-45-21-11-10-20-42(45)51(43)36-24-27-40-39-18-8-12-22-47(39)53-48(40)31-36/h1-31H.
What are the key properties of 10-dibenzothiophen-3-yl-N-phenyl-N-(9-phenylcarbazol-2-yl)phenoxazin-3-amine?
10-dibenzothiophen-3-yl-N-phenyl-N-(9-phenylcarbazol-2-yl)phenoxazin-3-amine has a molecular weight of 697.86 g/mol, XLogP of 14.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-dibenzothiophen-3-yl-N-phenyl-N-(9-phenylcarbazol-2-yl)phenoxazin-3-amine is sourced from PubChem (CID 164811785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).