N-(6,9-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine

C56H35NOS — CID 168772165

IUPACN-(6,9-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(-c3ccccc3)c3c2sc2c(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(c4)oc4c6ccccc6ccc54)cccc23)cc1
InChIInChI=1S/C56H35NOS/c1-3-13-37(14-4-1)45-33-34-47(38-15-5-2-6-16-38)56-53(45)50-23-12-24-51(55(50)59-56)57(41-28-25-40(26-29-41)44-22-11-19-36-17-7-9-20-43(36)44)42-30-32-48-49-31-27-39-18-8-10-21-46(39)54(49)58-52(48)35-42/h1-35H
InChIKeyNYVOFUHHOUOCQT-UHFFFAOYSA-N
MW769.97 g/mol
LogP16.73
Rot. Bonds6

About N-(6,9-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine

N-(6,9-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine (PubChem CID 168772165) has the molecular formula C56H35NOS and a molecular weight of 769.97 g/mol. Its IUPAC name is N-(6,9-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-(6,9-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
PubChem CID168772165
Molecular FormulaC56H35NOS
Molecular Weight769.97 g/mol
Exact Mass769.24
IUPAC NameN-(6,9-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(-c3ccccc3)c3c2sc2c(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(c4)oc4c6ccccc6ccc54)cccc23)cc1
InChIInChI=1S/C56H35NOS/c1-3-13-37(14-4-1)45-33-34-47(38-15-5-2-6-16-38)56-53(45)50-23-12-24-51(55(50)59-56)57(41-28-25-40(26-29-41)44-22-11-19-36-17-7-9-20-43(36)44)42-30-32-48-49-31-27-39-18-8-10-21-46(39)54(49)58-52(48)35-42/h1-35H
InChIKeyNYVOFUHHOUOCQT-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-(2,6-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 168771881
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397414
N-(4-dibenzofuran-4-ylphenyl)-6,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168771936
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 167329689
N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167277432
N-dibenzofuran-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738699
N-dibenzothiophen-4-yl-9-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170675281
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yl-6-phenyldibenzothiophen-4-amine
CID 168809687
N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 169064264
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 166938730
N,N-di(dibenzothiophen-4-yl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-(4-naphthalen-1-ylphenyl)-N-naphtho[1,2-b][1]benzofuran-9-yl-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-naphtho[1,2-b][1]benzofuran-10-yl-N-(4-phenylphenyl)-9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine
CID 165024092
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-10-amine
CID 167277417

Frequently Asked Questions

What is the IUPAC name of N-(6,9-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
The IUPAC name of N-(6,9-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine (CID 168772165) is N-(6,9-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine.
What is the SMILES notation for N-(6,9-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
The canonical SMILES for N-(6,9-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine is c1ccc(-c2ccc(-c3ccccc3)c3c2sc2c(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5c(c4)oc4c6ccccc6ccc54)cccc23)cc1.
What is the InChIKey of N-(6,9-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
The InChIKey is NYVOFUHHOUOCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NOS/c1-3-13-37(14-4-1)45-33-34-47(38-15-5-2-6-16-38)56-53(45)50-23-12-24-51(55(50)59-56)57(41-28-25-40(26-29-41)44-22-11-19-36-17-7-9-20-43(36)44)42-30-32-48-49-31-27-39-18-8-10-21-46(39)54(49)58-52(48)35-42/h1-35H.
What are the key properties of N-(6,9-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
N-(6,9-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-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-(6,9-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine is sourced from PubChem (CID 168772165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).