N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-1-amine

C48H30N2OS — CID 156520876

IUPACN-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-1-amine
SMILESc1ccc(N(c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3ccccc34)cc2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C48H30N2OS/c1-2-13-32(14-3-1)49(43-21-12-23-45-47(43)38-18-6-10-22-44(38)51-45)33-27-25-31(26-28-33)39-29-34(30-40-37-17-7-11-24-46(37)52-48(39)40)50-41-19-8-4-15-35(41)36-16-5-9-20-42(36)50/h1-30H
InChIKeySJYVELFPKVRFKV-UHFFFAOYSA-N
MW682.85 g/mol
LogP14.19
Rot. Bonds5

About N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-1-amine

N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-1-amine (PubChem CID 156520876) has the molecular formula C48H30N2OS and a molecular weight of 682.85 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-1-amine
PubChem CID156520876
Molecular FormulaC48H30N2OS
Molecular Weight682.85 g/mol
Exact Mass682.21
IUPAC NameN-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-1-amine
SMILESc1ccc(N(c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3ccccc34)cc2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C48H30N2OS/c1-2-13-32(14-3-1)49(43-21-12-23-45-47(43)38-18-6-10-22-44(38)51-45)33-27-25-31(26-28-33)39-29-34(30-40-37-17-7-11-24-46(37)52-48(39)40)50-41-19-8-4-15-35(41)36-16-5-9-20-42(36)50/h1-30H
InChIKeySJYVELFPKVRFKV-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-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 166591724
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 156521438
2-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenyldibenzothiophen-4-amine
CID 156520642
N-phenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]-7,8-dihydrodibenzofuran-1-amine
CID 156520991
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-4-dibenzothiophen-1-yl-N-phenylaniline
CID 156520886
N-(2-carbazol-9-yldibenzothiophen-4-yl)-N-naphthalen-2-yldibenzofuran-1-amine
CID 166591704
N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-2-yldibenzofuran-4-amine
CID 156521401
N,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]aniline
CID 156521456
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155187031
3-N-dibenzofuran-1-yl-3-N-phenyl-5-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-6-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 162465014
N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzothiophen-1-amine
CID 156521073
4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine
CID 176609970

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-1-amine?
The IUPAC name of N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-1-amine (CID 156520876) is N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-1-amine.
What is the SMILES notation for N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-1-amine?
The canonical SMILES for N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-1-amine is c1ccc(N(c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)cc4c3sc3ccccc34)cc2)c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-1-amine?
The InChIKey is SJYVELFPKVRFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2OS/c1-2-13-32(14-3-1)49(43-21-12-23-45-47(43)38-18-6-10-22-44(38)51-45)33-27-25-31(26-28-33)39-29-34(30-40-37-17-7-11-24-46(37)52-48(39)40)50-41-19-8-4-15-35(41)36-16-5-9-20-42(36)50/h1-30H.
What are the key properties of N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-1-amine?
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-1-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-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-1-amine is sourced from PubChem (CID 156520876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).