N-phenyl-N-[2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]dibenzofuran-2-amine

C48H30N2OS — CID 122462802

IUPACN-phenyl-N-[2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]dibenzofuran-2-amine
SMILESc1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc3c2sc2ccccc23)cc1
InChIInChI=1S/C48H30N2OS/c1-3-13-33(14-4-1)49(35-24-26-46-40(30-35)37-18-8-11-21-45(37)51-46)44-29-32(28-41-38-19-9-12-22-47(38)52-48(41)44)31-23-25-43-39(27-31)36-17-7-10-20-42(36)50(43)34-15-5-2-6-16-34/h1-30H
InChIKeyPRXYHASMUHUKHA-UHFFFAOYSA-N
MW682.85 g/mol
LogP14.19
Rot. Bonds5

About N-phenyl-N-[2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]dibenzofuran-2-amine

N-phenyl-N-[2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]dibenzofuran-2-amine (PubChem CID 122462802) has the molecular formula C48H30N2OS and a molecular weight of 682.85 g/mol. Its IUPAC name is N-phenyl-N-[2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]dibenzofuran-2-amine
PubChem CID122462802
Molecular FormulaC48H30N2OS
Molecular Weight682.85 g/mol
Exact Mass682.21
IUPAC NameN-phenyl-N-[2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]dibenzofuran-2-amine
SMILESc1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc3c2sc2ccccc23)cc1
InChIInChI=1S/C48H30N2OS/c1-3-13-33(14-4-1)49(35-24-26-46-40(30-35)37-18-8-11-21-45(37)51-46)44-29-32(28-41-38-19-9-12-22-47(38)52-48(41)44)31-23-25-43-39(27-31)36-17-7-10-20-42(36)50(43)34-15-5-2-6-16-34/h1-30H
InChIKeyPRXYHASMUHUKHA-UHFFFAOYSA-N
XLogP14.19
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.85
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-di(dibenzothiophen-2-yl)-2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-amine
CID 122462963
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 159292400
N-phenyl-N-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]dibenzofuran-3-amine
CID 129180955
4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N-diphenylnaphthalene-1,4-diamine;4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 157190055
9-phenyl-3-[8-(4-phenyldibenzothiophen-2-yl)dibenzofuran-2-yl]carbazole
CID 164838503
1-N-dibenzofuran-4-yl-3-N-dibenzothiophen-2-yl-3-N-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-1-N-phenylbenzene-1,3-diamine;3-N-(8-dibenzofuran-2-yldibenzothiophen-2-yl)-3-N-dibenzothiophen-2-yl-1-N,1-N-diphenylbenzene-1,3-diamine;3-N-dibenzothiophen-2-yl-3-N-(8-dibenzothiophen-2-yldibenzothiophen-1-yl)-1-N,1-N-diphenylbenzene-1,3-diamine;3-N-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-1-N,1-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;1-N,1-N,3-N-triphenyl-3-N-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]benzene-1,3-diamine
CID 160796602
N,N-di(dibenzothiophen-3-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 138577647
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-6,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline;9-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 158901637
N-dibenzofuran-2-yl-8-(3,5-dichlorophenyl)-N-phenyldibenzofuran-3-amine;N-dibenzothiophen-2-yl-N-[8-(3,5-dichlorophenyl)dibenzothiophen-4-yl]-9-phenylcarbazol-2-amine;N-dibenzothiophen-2-yl-8-(3,5-dichlorophenyl)-N-phenyldibenzofuran-3-amine;N,N-di(dibenzothiophen-2-yl)-8-(3,5-dichlorophenyl)dibenzothiophen-3-amine
CID 161347144
N-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 118289224
3-N-dibenzofuran-2-yl-1-N,3-N-diphenyl-5-(9-phenylcarbazol-3-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 176781523
N-dibenzofuran-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;4-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 158933576

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]dibenzofuran-2-amine?
The IUPAC name of N-phenyl-N-[2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]dibenzofuran-2-amine (CID 122462802) is N-phenyl-N-[2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]dibenzofuran-2-amine.
What is the SMILES notation for N-phenyl-N-[2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]dibenzofuran-2-amine?
The canonical SMILES for N-phenyl-N-[2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]dibenzofuran-2-amine is c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc3c2sc2ccccc23)cc1.
What is the InChIKey of N-phenyl-N-[2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]dibenzofuran-2-amine?
The InChIKey is PRXYHASMUHUKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2OS/c1-3-13-33(14-4-1)49(35-24-26-46-40(30-35)37-18-8-11-21-45(37)51-46)44-29-32(28-41-38-19-9-12-22-47(38)52-48(41)44)31-23-25-43-39(27-31)36-17-7-10-20-42(36)50(43)34-15-5-2-6-16-34/h1-30H.
What are the key properties of N-phenyl-N-[2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]dibenzofuran-2-amine?
N-phenyl-N-[2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]dibenzofuran-2-amine has a molecular weight of 682.85 g/mol, XLogP of 14.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]dibenzofuran-2-amine is sourced from PubChem (CID 122462802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).