4-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)phenothiazin-10-yl]-N,N-diphenylaniline

C54H35N3OS — CID 134476211

IUPAC4-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)phenothiazin-10-yl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(N3c4ccccc4Sc4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5oc5ccccc56)ccc43)cc2)cc1
InChIInChI=1S/C54H35N3OS/c1-3-14-38(15-4-1)55(39-16-5-2-6-17-39)40-28-30-41(31-29-40)56-48-22-10-12-25-52(48)59-53-35-37(27-33-49(53)56)36-26-32-47-45(34-36)42-18-7-9-21-46(42)57(47)50-23-13-20-44-43-19-8-11-24-51(43)58-54(44)50/h1-35H
InChIKeyVLYSBLQSZUDAKY-UHFFFAOYSA-N
MW773.96 g/mol
LogP15.75
Rot. Bonds6

About 4-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)phenothiazin-10-yl]-N,N-diphenylaniline

4-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)phenothiazin-10-yl]-N,N-diphenylaniline (PubChem CID 134476211) has the molecular formula C54H35N3OS and a molecular weight of 773.96 g/mol. Its IUPAC name is 4-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)phenothiazin-10-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)phenothiazin-10-yl]-N,N-diphenylaniline
PubChem CID134476211
Molecular FormulaC54H35N3OS
Molecular Weight773.96 g/mol
Exact Mass773.25
IUPAC Name4-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)phenothiazin-10-yl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(N3c4ccccc4Sc4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5oc5ccccc56)ccc43)cc2)cc1
InChIInChI=1S/C54H35N3OS/c1-3-14-38(15-4-1)55(39-16-5-2-6-17-39)40-28-30-41(31-29-40)56-48-22-10-12-25-52(48)59-53-35-37(27-33-49(53)56)36-26-32-47-45(34-36)42-18-7-9-21-46(42)57(47)50-23-13-20-44-43-19-8-11-24-51(43)58-54(44)50/h1-35H
InChIKeyVLYSBLQSZUDAKY-UHFFFAOYSA-N
XLogP15.75
TPSA24.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.96
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 90207100
10-dibenzofuran-4-yl-3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenothiazine
CID 134475813
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-10-(3-phenylphenyl)phenothiazine
CID 134475884
6-carbazol-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 165374648
10-dibenzofuran-4-yl-3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenothiazine
CID 134475783
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
N-[2-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline
CID 118086600
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
10-phenyl-3-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenothiazine
CID 134476436
4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline
CID 164786369
N-(4-carbazol-9-ylphenyl)-N-[4-(10-phenylphenothiazin-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(10-phenylphenothiazin-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(10-phenylphenothiazin-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(10-phenylphenothiazin-3-yl)phenyl]naphthalen-1-amine;N-naphthalen-1-yl-10-phenyl-N-[4-(10-phenylphenothiazin-3-yl)phenyl]phenoxazin-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(10-phenylphenothiazin-3-yl)phenyl]naphthalen-1-amine
CID 159537331
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163

Frequently Asked Questions

What is the IUPAC name of 4-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)phenothiazin-10-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)phenothiazin-10-yl]-N,N-diphenylaniline (CID 134476211) is 4-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)phenothiazin-10-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)phenothiazin-10-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)phenothiazin-10-yl]-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc(N3c4ccccc4Sc4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5oc5ccccc56)ccc43)cc2)cc1.
What is the InChIKey of 4-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)phenothiazin-10-yl]-N,N-diphenylaniline?
The InChIKey is VLYSBLQSZUDAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3OS/c1-3-14-38(15-4-1)55(39-16-5-2-6-17-39)40-28-30-41(31-29-40)56-48-22-10-12-25-52(48)59-53-35-37(27-33-49(53)56)36-26-32-47-45(34-36)42-18-7-9-21-46(42)57(47)50-23-13-20-44-43-19-8-11-24-51(43)58-54(44)50/h1-35H.
What are the key properties of 4-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)phenothiazin-10-yl]-N,N-diphenylaniline?
4-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)phenothiazin-10-yl]-N,N-diphenylaniline has a molecular weight of 773.96 g/mol, XLogP of 15.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(9-dibenzofuran-4-ylcarbazol-3-yl)phenothiazin-10-yl]-N,N-diphenylaniline is sourced from PubChem (CID 134476211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).