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

C52H32N2OS — CID 171737951

IUPACN-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1cc(-c2ccc3sc4ccccc4c3c2)cc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cccc3oc4c5ccccc5ccc4c23)c1
InChIInChI=1S/C52H32N2OS/c1-2-14-39-33(11-1)23-29-43-51-47(20-10-21-48(51)55-52(39)43)53(36-25-27-37(28-26-36)54-45-18-6-3-15-40(45)41-16-4-7-19-46(41)54)38-13-9-12-34(31-38)35-24-30-50-44(32-35)42-17-5-8-22-49(42)56-50/h1-32H
InChIKeyDHOMLUBINSLGKY-UHFFFAOYSA-N
MW732.91 g/mol
LogP15.34
Rot. Bonds5

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

N-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171737951) has the molecular formula C52H32N2OS and a molecular weight of 732.91 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171737951
Molecular FormulaC52H32N2OS
Molecular Weight732.91 g/mol
Exact Mass732.22
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1cc(-c2ccc3sc4ccccc4c3c2)cc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cccc3oc4c5ccccc5ccc4c23)c1
InChIInChI=1S/C52H32N2OS/c1-2-14-39-33(11-1)23-29-43-51-47(20-10-21-48(51)55-52(39)43)53(36-25-27-37(28-26-36)54-45-18-6-3-15-40(45)41-16-4-7-19-46(41)54)38-13-9-12-34(31-38)35-24-30-50-44(32-35)42-17-5-8-22-49(42)56-50/h1-32H
InChIKeyDHOMLUBINSLGKY-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-(3-carbazol-9-ylphenyl)phenyl]-N-dibenzothiophen-2-ylnaphtho[1,2-b][1]benzofuran-7-amine
CID 171738145
N-(2-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738214
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739447
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-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738155
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738810
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170272106
N-(3-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737873
N-(4-dibenzothiophen-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine
CID 171737614
N-(3-dibenzothiophen-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739309
4-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)-N-phenanthren-1-yldibenzofuran-2-amine
CID 176608109
N-(3-dibenzothiophen-2-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738238

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (CID 171737951) is N-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is c1cc(-c2ccc3sc4ccccc4c3c2)cc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cccc3oc4c5ccccc5ccc4c23)c1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is DHOMLUBINSLGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2OS/c1-2-14-39-33(11-1)23-29-43-51-47(20-10-21-48(51)55-52(39)43)53(36-25-27-37(28-26-36)54-45-18-6-3-15-40(45)41-16-4-7-19-46(41)54)38-13-9-12-34(31-38)35-24-30-50-44(32-35)42-17-5-8-22-49(42)56-50/h1-32H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
N-(4-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)naphtho[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-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171737951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).