N-(4-carbazol-9-ylphenyl)-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine

C48H31N3S2 — CID 163707720

IUPACN-(4-carbazol-9-ylphenyl)-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(c2)Sc2ccccc2N3c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C48H31N3S2/c1-2-12-32(13-3-1)49(33-22-24-34(25-23-33)50-41-17-7-4-14-37(41)38-15-5-8-18-42(38)50)35-27-29-44-48(31-35)53-46-21-11-9-19-43(46)51(44)36-26-28-40-39-16-6-10-20-45(39)52-47(40)30-36/h1-31H
InChIKeyKGNKKNGCPXBLMR-UHFFFAOYSA-N
MW713.93 g/mol
LogP14.56
Rot. Bonds5

About N-(4-carbazol-9-ylphenyl)-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine

N-(4-carbazol-9-ylphenyl)-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine (PubChem CID 163707720) has the molecular formula C48H31N3S2 and a molecular weight of 713.93 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine
PubChem CID163707720
Molecular FormulaC48H31N3S2
Molecular Weight713.93 g/mol
Exact Mass713.20
IUPAC NameN-(4-carbazol-9-ylphenyl)-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(c2)Sc2ccccc2N3c2ccc3c(c2)sc2ccccc23)cc1
InChIInChI=1S/C48H31N3S2/c1-2-12-32(13-3-1)49(33-22-24-34(25-23-33)50-41-17-7-4-14-37(41)38-15-5-8-18-42(38)50)35-27-29-44-48(31-35)53-46-21-11-9-19-43(46)51(44)36-26-28-40-39-16-6-10-20-45(39)52-47(40)30-36/h1-31H
InChIKeyKGNKKNGCPXBLMR-UHFFFAOYSA-N
XLogP14.56
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.93
LogP ≤ 514.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-dibenzothiophen-3-yl-N-phenyl-N-(9-phenylcarbazol-2-yl)phenoxazin-3-amine
CID 164811785
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 155396635
N-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine
CID 118333318
N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-amine
CID 90050804
N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 167086981
N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 129085131
7-carbazol-9-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine
CID 90372077
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 121329672
N-(4-dibenzofuran-2-ylphenyl)-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine;N-(4-dibenzothiophen-2-ylphenyl)-10-phenyl-N-(4-phenylphenyl)phenoxazin-3-amine;10-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)phenoxazin-3-amine;10-phenyl-N-(10-phenylphenothiazin-3-yl)-N-(4-phenylphenyl)phenoxazin-3-amine;10-phenyl-N-(10-phenylphenoxazin-3-yl)-N-(4-phenylphenyl)phenoxazin-3-amine;10-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]phenoxazin-3-amine
CID 158784981
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
10-dibenzothiophen-3-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)phenoxazin-3-amine
CID 164811783
N-dibenzofuran-3-yl-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenylphenothiazin-3-amine;10-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)phenothiazin-3-amine
CID 165027954

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine (CID 163707720) is N-(4-carbazol-9-ylphenyl)-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine is c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(c2)Sc2ccccc2N3c2ccc3c(c2)sc2ccccc23)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine?
The InChIKey is KGNKKNGCPXBLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3S2/c1-2-12-32(13-3-1)49(33-22-24-34(25-23-33)50-41-17-7-4-14-37(41)38-15-5-8-18-42(38)50)35-27-29-44-48(31-35)53-46-21-11-9-19-43(46)51(44)36-26-28-40-39-16-6-10-20-45(39)52-47(40)30-36/h1-31H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine?
N-(4-carbazol-9-ylphenyl)-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine has a molecular weight of 713.93 g/mol, XLogP of 14.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-10-dibenzothiophen-3-yl-N-phenylphenothiazin-3-amine is sourced from PubChem (CID 163707720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).