N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-3-amine

C48H30N2OS — CID 147244332

IUPACN-[3-(4-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-3-amine
SMILESc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3c(c2)sc2ccccc23)c1
InChIInChI=1S/C48H30N2OS/c1-5-16-43-37(12-1)38-13-2-6-17-44(38)50(43)33-22-20-31(21-23-33)32-10-9-11-34(28-32)49(35-24-26-40-39-14-3-7-18-45(39)51-46(40)29-35)36-25-27-42-41-15-4-8-19-47(41)52-48(42)30-36/h1-30H
InChIKeyCLKAKXTXRZKYQC-UHFFFAOYSA-N
MW682.85 g/mol
LogP14.19
Rot. Bonds5

About N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-3-amine

N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-3-amine (PubChem CID 147244332) has the molecular formula C48H30N2OS and a molecular weight of 682.85 g/mol. Its IUPAC name is N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-3-amine.

Molecular Properties

Compound NameN-[3-(4-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-3-amine
PubChem CID147244332
Molecular FormulaC48H30N2OS
Molecular Weight682.85 g/mol
Exact Mass682.21
IUPAC NameN-[3-(4-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-3-amine
SMILESc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3c(c2)sc2ccccc23)c1
InChIInChI=1S/C48H30N2OS/c1-5-16-43-37(12-1)38-13-2-6-17-44(38)50(43)33-22-20-31(21-23-33)32-10-9-11-34(28-32)49(35-24-26-40-39-14-3-7-18-45(39)51-46(40)29-35)36-25-27-42-41-15-4-8-19-47(41)52-48(42)30-36/h1-30H
InChIKeyCLKAKXTXRZKYQC-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-phenyl-N-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]dibenzofuran-3-amine
CID 129180955
N-dibenzofuran-3-yl-N,9-diphenylcarbazol-1-amine;N-dibenzothiophen-3-yl-N,9-diphenylcarbazol-1-amine;N,N-diphenyl-9-(4-phenylphenyl)carbazol-1-amine;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)carbazol-1-amine;N,7,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-2-amine
CID 165092289
N-[3-(4-benzo[b]carbazol-5-ylphenyl)phenyl]-N-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-9-amine
CID 121329703
N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 129085131
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 131972152
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 155396635
9-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylcarbazol-2-amine
CID 118333340
N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085107
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-[3-[3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 118462722
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-2,7-diamine
CID 176781504
4-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-1-amine
CID 176607995

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-3-amine?
The IUPAC name of N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-3-amine (CID 147244332) is N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-3-amine.
What is the SMILES notation for N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-3-amine?
The canonical SMILES for N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-3-amine is c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3c(c2)sc2ccccc23)c1.
What is the InChIKey of N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-3-amine?
The InChIKey is CLKAKXTXRZKYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2OS/c1-5-16-43-37(12-1)38-13-2-6-17-44(38)50(43)33-22-20-31(21-23-33)32-10-9-11-34(28-32)49(35-24-26-40-39-14-3-7-18-45(39)51-46(40)29-35)36-25-27-42-41-15-4-8-19-47(41)52-48(42)30-36/h1-30H.
What are the key properties of N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-3-amine?
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-3-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-[3-(4-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-3-yldibenzofuran-3-amine is sourced from PubChem (CID 147244332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).