N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine

C48H30N2OS — CID 164790736

IUPACN-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4ccc(N(c5cccc6c5oc5ccccc56)c5cccc6c5sc5ccccc56)cc4)c32)cc1
InChIInChI=1S/C48H30N2OS/c1-2-13-32(14-3-1)50-41-22-7-4-15-35(41)38-19-10-18-34(46(38)50)31-27-29-33(30-28-31)49(42-23-11-20-39-36-16-5-8-25-44(36)51-47(39)42)43-24-12-21-40-37-17-6-9-26-45(37)52-48(40)43/h1-30H
InChIKeyUZRQUJMXMJLTED-UHFFFAOYSA-N
MW682.85 g/mol
LogP14.19
Rot. Bonds5

About N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine

N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine (PubChem CID 164790736) has the molecular formula C48H30N2OS and a molecular weight of 682.85 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine
PubChem CID164790736
Molecular FormulaC48H30N2OS
Molecular Weight682.85 g/mol
Exact Mass682.21
IUPAC NameN-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4ccc(N(c5cccc6c5oc5ccccc56)c5cccc6c5sc5ccccc56)cc4)c32)cc1
InChIInChI=1S/C48H30N2OS/c1-2-13-32(14-3-1)50-41-22-7-4-15-35(41)38-19-10-18-34(46(38)50)31-27-29-33(30-28-31)49(42-23-11-20-39-36-16-5-8-25-44(36)51-47(39)42)43-24-12-21-40-37-17-6-9-26-45(37)52-48(40)43/h1-30H
InChIKeyUZRQUJMXMJLTED-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-dibenzothiophen-4-yl-2-(9-phenylcarbazol-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 164790673
N-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine;bis(N-dibenzofuran-4-yl-6-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine);N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzothiophen-4-amine
CID 165040530
N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 118405592
N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163662266
N-dibenzofuran-4-yl-6-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-1-yl-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 164991231
N-dibenzofuran-4-yl-N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 168814483
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168788477
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 168814614
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164790797
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 164790828
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 165081556
N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indol-6-amine;N-(4-carbazol-9-ylphenyl)-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine;N-dibenzofuran-4-yl-10-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b]indol-6-amine
CID 162206687

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine?
The IUPAC name of N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine (CID 164790736) is N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine is c1ccc(-n2c3ccccc3c3cccc(-c4ccc(N(c5cccc6c5oc5ccccc56)c5cccc6c5sc5ccccc56)cc4)c32)cc1.
What is the InChIKey of N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine?
The InChIKey is UZRQUJMXMJLTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2OS/c1-2-13-32(14-3-1)50-41-22-7-4-15-35(41)38-19-10-18-34(46(38)50)31-27-29-33(30-28-31)49(42-23-11-20-39-36-16-5-8-25-44(36)51-47(39)42)43-24-12-21-40-37-17-6-9-26-45(37)52-48(40)43/h1-30H.
What are the key properties of N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine?
N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-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-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 164790736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).