N-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzothiol-10-yl-6,9-diphenyldibenzofuran-4-amine

C56H35NOS — CID 168772112

IUPACN-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzothiol-10-yl-6,9-diphenyldibenzofuran-4-amine
SMILESc1ccc(-c2ccc(-c3ccccc3)c3c2oc2c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc5c4sc4c6ccccc6ccc54)cccc23)cc1
InChIInChI=1S/C56H35NOS/c1-3-14-38(15-4-1)44-33-34-45(39-16-5-2-6-17-39)54-52(44)49-22-12-23-50(53(49)58-54)57(43-30-27-37(28-31-43)42-26-25-36-13-7-8-19-41(36)35-42)51-24-11-21-47-48-32-29-40-18-9-10-20-46(40)55(48)59-56(47)51/h1-35H
InChIKeyXNDDNATVPSROBS-UHFFFAOYSA-N
MW769.97 g/mol
LogP16.73
Rot. Bonds6

About N-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzothiol-10-yl-6,9-diphenyldibenzofuran-4-amine

N-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzothiol-10-yl-6,9-diphenyldibenzofuran-4-amine (PubChem CID 168772112) has the molecular formula C56H35NOS and a molecular weight of 769.97 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzothiol-10-yl-6,9-diphenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzothiol-10-yl-6,9-diphenyldibenzofuran-4-amine
PubChem CID168772112
Molecular FormulaC56H35NOS
Molecular Weight769.97 g/mol
Exact Mass769.24
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzothiol-10-yl-6,9-diphenyldibenzofuran-4-amine
SMILESc1ccc(-c2ccc(-c3ccccc3)c3c2oc2c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc5c4sc4c6ccccc6ccc54)cccc23)cc1
InChIInChI=1S/C56H35NOS/c1-3-14-38(15-4-1)44-33-34-45(39-16-5-2-6-17-39)54-52(44)49-22-12-23-50(53(49)58-54)57(43-30-27-37(28-31-43)42-26-25-36-13-7-8-19-41(36)35-42)51-24-11-21-47-48-32-29-40-18-9-10-20-46(40)55(48)59-56(47)51/h1-35H
InChIKeyXNDDNATVPSROBS-UHFFFAOYSA-N
XLogP16.73
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.97
LogP ≤ 516.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-(7-phenylnaphthalen-1-yl)dibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-(7-phenylnaphthalen-1-yl)dibenzothiophen-4-amine;6-phenyl-N-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzofuran-4-amine;6-phenyl-N-(6-phenyldibenzothiophen-4-yl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 158016465
N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-1,6-diphenyldibenzofuran-4-amine
CID 168771854
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine
CID 167277417
N-[2-[2-(N-dibenzothiophen-4-yl-3-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine
CID 167086859
N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-9-(4-phenylphenyl)dibenzofuran-4-amine
CID 166055357
N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-(3-phenylphenyl)aniline
CID 118616110
N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine
CID 167236501
N-(3,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 177080732
N-(4-dibenzothiophen-3-ylphenyl)-N-(2-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397552
N-(4-phenanthren-2-ylphenyl)-9-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine
CID 167397088
N-(4-naphtho[1,2-b][1]benzothiol-8-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 118616293
N-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 166589713

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzothiol-10-yl-6,9-diphenyldibenzofuran-4-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzothiol-10-yl-6,9-diphenyldibenzofuran-4-amine (CID 168772112) is N-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzothiol-10-yl-6,9-diphenyldibenzofuran-4-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzothiol-10-yl-6,9-diphenyldibenzofuran-4-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzothiol-10-yl-6,9-diphenyldibenzofuran-4-amine is c1ccc(-c2ccc(-c3ccccc3)c3c2oc2c(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc5c4sc4c6ccccc6ccc54)cccc23)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzothiol-10-yl-6,9-diphenyldibenzofuran-4-amine?
The InChIKey is XNDDNATVPSROBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NOS/c1-3-14-38(15-4-1)44-33-34-45(39-16-5-2-6-17-39)54-52(44)49-22-12-23-50(53(49)58-54)57(43-30-27-37(28-31-43)42-26-25-36-13-7-8-19-41(36)35-42)51-24-11-21-47-48-32-29-40-18-9-10-20-46(40)55(48)59-56(47)51/h1-35H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzothiol-10-yl-6,9-diphenyldibenzofuran-4-amine?
N-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzothiol-10-yl-6,9-diphenyldibenzofuran-4-amine has a molecular weight of 769.97 g/mol, XLogP of 16.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-N-naphtho[1,2-b][1]benzothiol-10-yl-6,9-diphenyldibenzofuran-4-amine is sourced from PubChem (CID 168772112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).