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

C56H34N2OS — CID 176610076

IUPAC4-(3-carbazol-9-ylphenyl)-N-dibenzothiophen-4-yl-N-phenanthren-9-yldibenzofuran-1-amine
SMILESc1cc(-c2ccc(N(c3cc4ccccc4c4ccccc34)c3cccc4c3sc3ccccc34)c3c2oc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C56H34N2OS/c1-2-18-38-36(15-1)34-51(41-20-4-3-19-40(38)41)58(50-28-14-25-45-44-23-8-12-30-53(44)60-56(45)50)49-32-31-39(55-54(49)46-24-7-11-29-52(46)59-55)35-16-13-17-37(33-35)57-47-26-9-5-21-42(47)43-22-6-10-27-48(43)57/h1-34H
InChIKeyITZVAKSFBDOBJP-UHFFFAOYSA-N
MW782.97 g/mol
LogP16.49
Rot. Bonds5

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

4-(3-carbazol-9-ylphenyl)-N-dibenzothiophen-4-yl-N-phenanthren-9-yldibenzofuran-1-amine (PubChem CID 176610076) has the molecular formula C56H34N2OS and a molecular weight of 782.97 g/mol. Its IUPAC name is 4-(3-carbazol-9-ylphenyl)-N-dibenzothiophen-4-yl-N-phenanthren-9-yldibenzofuran-1-amine.

Molecular Properties

Compound Name4-(3-carbazol-9-ylphenyl)-N-dibenzothiophen-4-yl-N-phenanthren-9-yldibenzofuran-1-amine
PubChem CID176610076
Molecular FormulaC56H34N2OS
Molecular Weight782.97 g/mol
Exact Mass782.24
IUPAC Name4-(3-carbazol-9-ylphenyl)-N-dibenzothiophen-4-yl-N-phenanthren-9-yldibenzofuran-1-amine
SMILESc1cc(-c2ccc(N(c3cc4ccccc4c4ccccc34)c3cccc4c3sc3ccccc34)c3c2oc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C56H34N2OS/c1-2-18-38-36(15-1)34-51(41-20-4-3-19-40(38)41)58(50-28-14-25-45-44-23-8-12-30-53(44)60-56(45)50)49-32-31-39(55-54(49)46-24-7-11-29-52(46)59-55)35-16-13-17-37(33-35)57-47-26-9-5-21-42(47)43-22-6-10-27-48(43)57/h1-34H
InChIKeyITZVAKSFBDOBJP-UHFFFAOYSA-N
XLogP16.49
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.97
LogP ≤ 516.49
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

4-(3-carbazol-9-ylphenyl)-N,N-di(phenanthren-9-yl)dibenzofuran-1-amine
CID 176608248
4-(3-carbazol-9-ylphenyl)-N-phenanthren-9-yl-N-(2-phenylphenyl)dibenzofuran-1-amine
CID 176608215
4-(3-carbazol-9-ylphenyl)-N,N-di(phenanthren-9-yl)dibenzothiophen-1-amine
CID 176609982
4-(3-carbazol-9-ylphenyl)-N-dibenzothiophen-1-yl-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-1-amine
CID 176608909
N-dibenzothiophen-4-yl-N-phenanthren-9-yl-1-phenyldibenzofuran-4-amine
CID 171434504
4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine
CID 176608292
4-(3-carbazol-9-ylphenyl)-N-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-1-yldibenzofuran-1-amine
CID 176609843
4-(3-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 176608189
4-(2-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-4-yldibenzofuran-1-amine
CID 176608288
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-1-yldibenzofuran-1-amine
CID 176608293
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176608773
N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yl-4-(9-phenylcarbazol-3-yl)naphthalen-1-amine;N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzofuran-2-amine;N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzothiophen-2-amine;N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzothiophen-4-amine
CID 157314765

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-dibenzothiophen-4-yl-N-phenanthren-9-yldibenzofuran-1-amine?
The IUPAC name of 4-(3-carbazol-9-ylphenyl)-N-dibenzothiophen-4-yl-N-phenanthren-9-yldibenzofuran-1-amine (CID 176610076) is 4-(3-carbazol-9-ylphenyl)-N-dibenzothiophen-4-yl-N-phenanthren-9-yldibenzofuran-1-amine.
What is the SMILES notation for 4-(3-carbazol-9-ylphenyl)-N-dibenzothiophen-4-yl-N-phenanthren-9-yldibenzofuran-1-amine?
The canonical SMILES for 4-(3-carbazol-9-ylphenyl)-N-dibenzothiophen-4-yl-N-phenanthren-9-yldibenzofuran-1-amine is c1cc(-c2ccc(N(c3cc4ccccc4c4ccccc34)c3cccc4c3sc3ccccc34)c3c2oc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 4-(3-carbazol-9-ylphenyl)-N-dibenzothiophen-4-yl-N-phenanthren-9-yldibenzofuran-1-amine?
The InChIKey is ITZVAKSFBDOBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N2OS/c1-2-18-38-36(15-1)34-51(41-20-4-3-19-40(38)41)58(50-28-14-25-45-44-23-8-12-30-53(44)60-56(45)50)49-32-31-39(55-54(49)46-24-7-11-29-52(46)59-55)35-16-13-17-37(33-35)57-47-26-9-5-21-42(47)43-22-6-10-27-48(43)57/h1-34H.
What are the key properties of 4-(3-carbazol-9-ylphenyl)-N-dibenzothiophen-4-yl-N-phenanthren-9-yldibenzofuran-1-amine?
4-(3-carbazol-9-ylphenyl)-N-dibenzothiophen-4-yl-N-phenanthren-9-yldibenzofuran-1-amine has a molecular weight of 782.97 g/mol, XLogP of 16.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbazol-9-ylphenyl)-N-dibenzothiophen-4-yl-N-phenanthren-9-yldibenzofuran-1-amine is sourced from PubChem (CID 176610076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).