N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-7-amine

C52H32N2OS — CID 171738145

IUPACN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-7-amine
SMILESc1cc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3cccc4oc5c6ccccc6ccc5c34)cc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C52H32N2OS/c1-2-14-39-34(11-1)25-29-43-51-47(20-10-21-48(51)55-52(39)43)53(38-28-30-50-44(32-38)42-17-5-8-22-49(42)56-50)36-26-23-33(24-27-36)35-12-9-13-37(31-35)54-45-18-6-3-15-40(45)41-16-4-7-19-46(41)54/h1-32H
InChIKeyHLHQRRWGDORQJS-UHFFFAOYSA-N
MW732.91 g/mol
LogP15.34
Rot. Bonds5

About N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-7-amine

N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171738145) has the molecular formula C52H32N2OS and a molecular weight of 732.91 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171738145
Molecular FormulaC52H32N2OS
Molecular Weight732.91 g/mol
Exact Mass732.22
IUPAC NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-7-amine
SMILESc1cc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3cccc4oc5c6ccccc6ccc5c34)cc2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C52H32N2OS/c1-2-14-39-34(11-1)25-29-43-51-47(20-10-21-48(51)55-52(39)43)53(38-28-30-50-44(32-38)42-17-5-8-22-49(42)56-50)36-26-23-33(24-27-36)35-12-9-13-37(31-35)54-45-18-6-3-15-40(45)41-16-4-7-19-46(41)54/h1-32H
InChIKeyHLHQRRWGDORQJS-UHFFFAOYSA-N
XLogP15.34
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.91
LogP ≤ 515.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739447
N-(2-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738214
N-(4-dibenzothiophen-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine
CID 171737614
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738155
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 166939262
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738692
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170272106
N-(3-dibenzothiophen-1-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737389
N-(3-dibenzothiophen-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739309
N-(2-dibenzothiophen-3-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738541
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738810

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-7-amine (CID 171738145) is N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-7-amine is c1cc(-c2ccc(N(c3ccc4sc5ccccc5c4c3)c3cccc4oc5c6ccccc6ccc5c34)cc2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is HLHQRRWGDORQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2OS/c1-2-14-39-34(11-1)25-29-43-51-47(20-10-21-48(51)55-52(39)43)53(38-28-30-50-44(32-38)42-17-5-8-22-49(42)56-50)36-26-23-33(24-27-36)35-12-9-13-37(31-35)54-45-18-6-3-15-40(45)41-16-4-7-19-46(41)54/h1-32H.
What are the key properties of N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-7-amine?
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 732.91 g/mol, XLogP of 15.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171738145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).