4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-1-yldibenzofuran-2-amine

C62H38N2OS — CID 176608109

IUPAC4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-1-yldibenzofuran-2-amine
SMILESc1cc(-c2ccc3sc4ccccc4c3c2)cc(N(c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3oc4ccccc4c3c2)c2cccc3c2ccc2ccccc23)c1
InChIInChI=1S/C62H38N2OS/c1-2-16-46-39(13-1)29-33-50-47(46)21-12-24-56(50)63(44-15-11-14-41(35-44)42-30-34-61-54(36-42)52-20-6-10-26-60(52)66-61)45-37-53(62-55(38-45)51-19-5-9-25-59(51)65-62)40-27-31-43(32-28-40)64-57-22-7-3-17-48(57)49-18-4-8-23-58(49)64/h1-38H
InChIKeyOSNYLEQSSVBZKL-UHFFFAOYSA-N
MW859.07 g/mol
LogP18.16
Rot. Bonds6

About 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-1-yldibenzofuran-2-amine

4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-1-yldibenzofuran-2-amine (PubChem CID 176608109) has the molecular formula C62H38N2OS and a molecular weight of 859.07 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-1-yldibenzofuran-2-amine.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-1-yldibenzofuran-2-amine
PubChem CID176608109
Molecular FormulaC62H38N2OS
Molecular Weight859.07 g/mol
Exact Mass858.27
IUPAC Name4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-1-yldibenzofuran-2-amine
SMILESc1cc(-c2ccc3sc4ccccc4c3c2)cc(N(c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3oc4ccccc4c3c2)c2cccc3c2ccc2ccccc23)c1
InChIInChI=1S/C62H38N2OS/c1-2-16-46-39(13-1)29-33-50-47(46)21-12-24-56(50)63(44-15-11-14-41(35-44)42-30-34-61-54(36-42)52-20-6-10-26-60(52)66-61)45-37-53(62-55(38-45)51-19-5-9-25-59(51)65-62)40-27-31-43(32-28-40)64-57-22-7-3-17-48(57)49-18-4-8-23-58(49)64/h1-38H
InChIKeyOSNYLEQSSVBZKL-UHFFFAOYSA-N
XLogP18.16
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.07
LogP ≤ 518.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737951
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 176608837
4-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;4-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 157317225
4-(2-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 176608516
4-(4-carbazol-9-ylphenyl)-N,N-diphenyldibenzofuran-2-amine;4-dibenzothiophen-2-yl-N,N-diphenyldibenzofuran-2-amine;N,N-diphenyl-4-(9-phenylcarbazol-3-yl)dibenzofuran-2-amine
CID 159548783
4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine
CID 176608292
4-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-1-amine
CID 176607995
N-dibenzofuran-4-yl-N-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 168814711
N-dibenzothiophen-2-yl-N-phenyl-4-(9-phenylcarbazol-2-yl)dibenzofuran-2-amine
CID 122462840
4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine
CID 176609970
4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 176607836
N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzothiophen-2-amine;N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-3-amine
CID 162244796

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-1-yldibenzofuran-2-amine?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-1-yldibenzofuran-2-amine (CID 176608109) is 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-1-yldibenzofuran-2-amine.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-1-yldibenzofuran-2-amine?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-1-yldibenzofuran-2-amine is c1cc(-c2ccc3sc4ccccc4c3c2)cc(N(c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3oc4ccccc4c3c2)c2cccc3c2ccc2ccccc23)c1.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-1-yldibenzofuran-2-amine?
The InChIKey is OSNYLEQSSVBZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N2OS/c1-2-16-46-39(13-1)29-33-50-47(46)21-12-24-56(50)63(44-15-11-14-41(35-44)42-30-34-61-54(36-42)52-20-6-10-26-60(52)66-61)45-37-53(62-55(38-45)51-19-5-9-25-59(51)65-62)40-27-31-43(32-28-40)64-57-22-7-3-17-48(57)49-18-4-8-23-58(49)64/h1-38H.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-1-yldibenzofuran-2-amine?
4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-1-yldibenzofuran-2-amine has a molecular weight of 859.07 g/mol, XLogP of 18.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-1-yldibenzofuran-2-amine is sourced from PubChem (CID 176608109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).