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

C62H38N2OS — CID 176608292

IUPAC4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine
SMILESc1cc(-c2ccc3sc4ccccc4c3c2)cc(N(c2cc3ccccc3c3ccccc23)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3oc4ccccc4c23)c1
InChIInChI=1S/C62H38N2OS/c1-2-17-45-42(14-1)38-57(48-19-4-3-18-47(45)48)64(44-16-13-15-40(36-44)41-30-35-60-53(37-41)51-22-8-12-27-59(51)66-60)56-34-33-46(62-61(56)52-23-7-11-26-58(52)65-62)39-28-31-43(32-29-39)63-54-24-9-5-20-49(54)50-21-6-10-25-55(50)63/h1-38H
InChIKeyCAGBDCQRIJSPJJ-UHFFFAOYSA-N
MW859.07 g/mol
LogP18.16
Rot. Bonds6

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

4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine (PubChem CID 176608292) 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-9-yldibenzofuran-1-amine.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine
PubChem CID176608292
Molecular FormulaC62H38N2OS
Molecular Weight859.07 g/mol
Exact Mass858.27
IUPAC Name4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine
SMILESc1cc(-c2ccc3sc4ccccc4c3c2)cc(N(c2cc3ccccc3c3ccccc23)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3oc4ccccc4c23)c1
InChIInChI=1S/C62H38N2OS/c1-2-17-45-42(14-1)38-57(48-19-4-3-18-47(45)48)64(44-16-13-15-40(36-44)41-30-35-60-53(37-41)51-22-8-12-27-59(51)66-60)56-34-33-46(62-61(56)52-23-7-11-26-58(52)65-62)39-28-31-43(32-29-39)63-54-24-9-5-20-49(54)50-21-6-10-25-55(50)63/h1-38H
InChIKeyCAGBDCQRIJSPJJ-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

4-(4-carbazol-9-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176607823
4-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-1-amine
CID 176607995
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 176608773
4-(4-carbazol-9-ylphenyl)-N-(3-phenanthren-9-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176608684
N-phenanthren-9-yl-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069460
4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-1-yldibenzofuran-2-amine
CID 176608109
N-(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-phenanthren-9-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine;N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-2-amine
CID 157343645
4-(3-carbazol-9-ylphenyl)-N-dibenzothiophen-4-yl-N-phenanthren-9-yldibenzofuran-1-amine
CID 176610076
N-(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-phenanthren-9-yl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]dibenzofuran-4-amine
CID 160849925
N-(4-dibenzothiophen-2-ylphenyl)-N-phenanthren-2-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820649
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,N-di(phenanthren-9-yl)dibenzofuran-1-amine
CID 176608248

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine (CID 176608292) is 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine is c1cc(-c2ccc3sc4ccccc4c3c2)cc(N(c2cc3ccccc3c3ccccc23)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3oc4ccccc4c23)c1.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine?
The InChIKey is CAGBDCQRIJSPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N2OS/c1-2-17-45-42(14-1)38-57(48-19-4-3-18-47(45)48)64(44-16-13-15-40(36-44)41-30-35-60-53(37-41)51-22-8-12-27-59(51)66-60)56-34-33-46(62-61(56)52-23-7-11-26-58(52)65-62)39-28-31-43(32-29-39)63-54-24-9-5-20-49(54)50-21-6-10-25-55(50)63/h1-38H.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-amine?
4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-9-yldibenzofuran-1-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-9-yldibenzofuran-1-amine is sourced from PubChem (CID 176608292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).