N-(2-naphtho[2,1-b][1]benzofuran-8-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine

C52H33NOS — CID 170665977

IUPACN-(2-naphtho[2,1-b][1]benzofuran-8-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3-c3cccc4c3oc3ccc5ccccc5c34)c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C52H33NOS/c1-3-14-34(15-4-1)35-28-31-38(32-29-35)53(45-25-13-27-48-51(45)41-20-9-10-26-47(41)55-48)44-24-12-21-39(36-16-5-2-6-17-36)49(44)42-22-11-23-43-50-40-19-8-7-18-37(40)30-33-46(50)54-52(42)43/h1-33H
InChIKeyKBKVYEHCNPIAAJ-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

About N-(2-naphtho[2,1-b][1]benzofuran-8-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine

N-(2-naphtho[2,1-b][1]benzofuran-8-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine (PubChem CID 170665977) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-(2-naphtho[2,1-b][1]benzofuran-8-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-(2-naphtho[2,1-b][1]benzofuran-8-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
PubChem CID170665977
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-(2-naphtho[2,1-b][1]benzofuran-8-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3-c3cccc4c3oc3ccc5ccccc5c34)c3cccc4sc5ccccc5c34)cc2)cc1
InChIInChI=1S/C52H33NOS/c1-3-14-34(15-4-1)35-28-31-38(32-29-35)53(45-25-13-27-48-51(45)41-20-9-10-26-47(41)55-48)44-24-12-21-39(36-16-5-2-6-17-36)49(44)42-22-11-23-43-50-40-19-8-7-18-37(40)30-33-46(50)54-52(42)43/h1-33H
InChIKeyKBKVYEHCNPIAAJ-UHFFFAOYSA-N
XLogP15.58
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.91
LogP ≤ 515.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2-naphtho[2,1-b][1]benzofuran-8-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine with MolForge

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Related Compounds

N-dibenzothiophen-1-yl-N,8-diphenylnaphtho[2,1-b][1]benzofuran-4-amine
CID 177130918
N-phenanthren-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-1-amine
CID 168805268
N-dibenzothiophen-1-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069291
8-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
CID 122426064
N-(2-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 170665863
N-(2-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739542
N-dibenzothiophen-1-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168805096
N-(4-naphthalen-1-ylphenyl)-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 139363107
N-naphthalen-2-yl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 168788625
N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-1-yl-N-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326359
N-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 170126820
N-(2-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738192

Frequently Asked Questions

What is the IUPAC name of N-(2-naphtho[2,1-b][1]benzofuran-8-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine?
The IUPAC name of N-(2-naphtho[2,1-b][1]benzofuran-8-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine (CID 170665977) is N-(2-naphtho[2,1-b][1]benzofuran-8-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine.
What is the SMILES notation for N-(2-naphtho[2,1-b][1]benzofuran-8-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine?
The canonical SMILES for N-(2-naphtho[2,1-b][1]benzofuran-8-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3-c3cccc4c3oc3ccc5ccccc5c34)c3cccc4sc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-(2-naphtho[2,1-b][1]benzofuran-8-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine?
The InChIKey is KBKVYEHCNPIAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-3-14-34(15-4-1)35-28-31-38(32-29-35)53(45-25-13-27-48-51(45)41-20-9-10-26-47(41)55-48)44-24-12-21-39(36-16-5-2-6-17-36)49(44)42-22-11-23-43-50-40-19-8-7-18-37(40)30-33-46(50)54-52(42)43/h1-33H.
What are the key properties of N-(2-naphtho[2,1-b][1]benzofuran-8-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine?
N-(2-naphtho[2,1-b][1]benzofuran-8-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine has a molecular weight of 719.91 g/mol, XLogP of 15.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphtho[2,1-b][1]benzofuran-8-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine is sourced from PubChem (CID 170665977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).