11-N-dibenzothiophen-3-yl-9-N,9-N-diphenyl-11-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine

C52H34N2OS — CID 166856034

IUPAC11-N-dibenzothiophen-3-yl-9-N,9-N-diphenyl-11-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3cc(N(c4ccccc4)c4ccccc4)cc4oc5ccc6ccccc6c5c34)cc2)cc1
InChIInChI=1S/C52H34N2OS/c1-4-14-35(15-5-1)36-24-27-40(28-25-36)54(41-29-30-45-44-22-12-13-23-49(44)56-50(45)34-41)46-32-42(53(38-17-6-2-7-18-38)39-19-8-3-9-20-39)33-48-52(46)51-43-21-11-10-16-37(43)26-31-47(51)55-48/h1-34H
InChIKeyYXDRHXSHGXDMAY-UHFFFAOYSA-N
MW734.92 g/mol
LogP15.71
Rot. Bonds7

About 11-N-dibenzothiophen-3-yl-9-N,9-N-diphenyl-11-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine

11-N-dibenzothiophen-3-yl-9-N,9-N-diphenyl-11-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine (PubChem CID 166856034) has the molecular formula C52H34N2OS and a molecular weight of 734.92 g/mol. Its IUPAC name is 11-N-dibenzothiophen-3-yl-9-N,9-N-diphenyl-11-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine.

Molecular Properties

Compound Name11-N-dibenzothiophen-3-yl-9-N,9-N-diphenyl-11-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine
PubChem CID166856034
Molecular FormulaC52H34N2OS
Molecular Weight734.92 g/mol
Exact Mass734.24
IUPAC Name11-N-dibenzothiophen-3-yl-9-N,9-N-diphenyl-11-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3cc(N(c4ccccc4)c4ccccc4)cc4oc5ccc6ccccc6c5c34)cc2)cc1
InChIInChI=1S/C52H34N2OS/c1-4-14-35(15-5-1)36-24-27-40(28-25-36)54(41-29-30-45-44-22-12-13-23-49(44)56-50(45)34-41)46-32-42(53(38-17-6-2-7-18-38)39-19-8-3-9-20-39)33-48-52(46)51-43-21-11-10-16-37(43)26-31-47(51)55-48/h1-34H
InChIKeyYXDRHXSHGXDMAY-UHFFFAOYSA-N
XLogP15.71
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.92
LogP ≤ 515.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-N,11-N-diphenyl-9-N,11-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine
CID 166856411
9-N-dibenzothiophen-4-yl-11-N-phenyl-9-N,11-N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine
CID 166856138
3-N-dibenzothiophen-3-yl-1-N,1-N,3-N,8-N,8-N-pentakis-phenyldibenzofuran-1,3,8-triamine
CID 155173000
7-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 146573933
N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 170033292
N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 177098573
7-N-dibenzothiophen-3-yl-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(4-naphthalen-2-ylphenyl)-3-N,3-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
CID 158872648
N-(4-dibenzothiophen-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-3-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 159845485
N-phenanthren-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 118122758
2-N,4-N-diphenyl-2-N,4-N-bis(7-phenyldibenzofuran-3-yl)phenanthrene-2,4-diamine
CID 162490088
N-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;2-N,8-N-dinaphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 161138976
3-N-(4-dibenzothiophen-3-ylphenyl)-1-N-phenyl-1-N,3-N-bis(4-phenylphenyl)dibenzothiophene-1,3-diamine
CID 177116813

Frequently Asked Questions

What is the IUPAC name of 11-N-dibenzothiophen-3-yl-9-N,9-N-diphenyl-11-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine?
The IUPAC name of 11-N-dibenzothiophen-3-yl-9-N,9-N-diphenyl-11-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine (CID 166856034) is 11-N-dibenzothiophen-3-yl-9-N,9-N-diphenyl-11-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine.
What is the SMILES notation for 11-N-dibenzothiophen-3-yl-9-N,9-N-diphenyl-11-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine?
The canonical SMILES for 11-N-dibenzothiophen-3-yl-9-N,9-N-diphenyl-11-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine is c1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3cc(N(c4ccccc4)c4ccccc4)cc4oc5ccc6ccccc6c5c34)cc2)cc1.
What is the InChIKey of 11-N-dibenzothiophen-3-yl-9-N,9-N-diphenyl-11-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine?
The InChIKey is YXDRHXSHGXDMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2OS/c1-4-14-35(15-5-1)36-24-27-40(28-25-36)54(41-29-30-45-44-22-12-13-23-49(44)56-50(45)34-41)46-32-42(53(38-17-6-2-7-18-38)39-19-8-3-9-20-39)33-48-52(46)51-43-21-11-10-16-37(43)26-31-47(51)55-48/h1-34H.
What are the key properties of 11-N-dibenzothiophen-3-yl-9-N,9-N-diphenyl-11-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine?
11-N-dibenzothiophen-3-yl-9-N,9-N-diphenyl-11-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine has a molecular weight of 734.92 g/mol, XLogP of 15.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-N-dibenzothiophen-3-yl-9-N,9-N-diphenyl-11-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine is sourced from PubChem (CID 166856034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).