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

C52H33NOS — CID 170675176

IUPACN-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cc(-c4ccccc4)c4c(c3)oc3c5ccccc5ccc34)cc2)cc1
InChIInChI=1S/C52H33NOS/c1-3-12-34(13-4-1)35-22-27-39(28-23-35)53(40-29-24-38(25-30-40)43-19-11-20-45-44-18-9-10-21-49(44)55-52(43)45)41-32-47(36-14-5-2-6-15-36)50-46-31-26-37-16-7-8-17-42(37)51(46)54-48(50)33-41/h1-33H
InChIKeyBVNSKODGJHGZSS-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

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

N-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine (PubChem CID 170675176) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
PubChem CID170675176
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cc(-c4ccccc4)c4c(c3)oc3c5ccccc5ccc34)cc2)cc1
InChIInChI=1S/C52H33NOS/c1-3-12-34(13-4-1)35-22-27-39(28-23-35)53(40-29-24-38(25-30-40)43-19-11-20-45-44-18-9-10-21-49(44)55-52(43)45)41-32-47(36-14-5-2-6-15-36)50-46-31-26-37-16-7-8-17-42(37)51(46)54-48(50)33-41/h1-33H
InChIKeyBVNSKODGJHGZSS-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

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Related Compounds

7-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-9-amine
CID 170675326
N-(4-dibenzothiophen-4-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167329482
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 166938730
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737260
N-(4-dibenzothiophen-4-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline
CID 166939738
N-(4-dibenzothiophen-4-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline
CID 163779199
N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine
CID 171738749
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159541648
N-(4-dibenzothiophen-4-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-N-phenylaniline
CID 170033343
3-dibenzothiophen-3-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167329579
N-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170239260
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 137392432

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine (CID 170675176) is N-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cc(-c4ccccc4)c4c(c3)oc3c5ccccc5ccc34)cc2)cc1.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
The InChIKey is BVNSKODGJHGZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-3-12-34(13-4-1)35-22-27-39(28-23-35)53(40-29-24-38(25-30-40)43-19-11-20-45-44-18-9-10-21-49(44)55-52(43)45)41-32-47(36-14-5-2-6-15-36)50-46-31-26-37-16-7-8-17-42(37)51(46)54-48(50)33-41/h1-33H.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
N-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-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-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine is sourced from PubChem (CID 170675176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).