8-N,8-N-dinaphthalen-2-yl-2-N-naphtho[2,1-b][1]benzofuran-10-yl-2-N-phenyldibenzothiophene-2,8-diamine

C54H34N2OS — CID 170044237

IUPAC8-N,8-N-dinaphthalen-2-yl-2-N-naphtho[2,1-b][1]benzofuran-10-yl-2-N-phenyldibenzothiophene-2,8-diamine
SMILESc1ccc(N(c2ccc3sc4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4c3c2)c2ccc3oc4ccc5ccccc5c4c3c2)cc1
InChIInChI=1S/C54H34N2OS/c1-2-15-40(16-3-1)55(43-23-27-50-49(34-43)54-46-17-9-8-12-37(46)20-26-51(54)57-50)44-24-28-52-47(32-44)48-33-45(25-29-53(48)58-52)56(41-21-18-35-10-4-6-13-38(35)30-41)42-22-19-36-11-5-7-14-39(36)31-42/h1-34H
InChIKeyKHWAULGZIBSQGA-UHFFFAOYSA-N
MW758.95 g/mol
LogP16.35
Rot. Bonds6

About 8-N,8-N-dinaphthalen-2-yl-2-N-naphtho[2,1-b][1]benzofuran-10-yl-2-N-phenyldibenzothiophene-2,8-diamine

8-N,8-N-dinaphthalen-2-yl-2-N-naphtho[2,1-b][1]benzofuran-10-yl-2-N-phenyldibenzothiophene-2,8-diamine (PubChem CID 170044237) has the molecular formula C54H34N2OS and a molecular weight of 758.95 g/mol. Its IUPAC name is 8-N,8-N-dinaphthalen-2-yl-2-N-naphtho[2,1-b][1]benzofuran-10-yl-2-N-phenyldibenzothiophene-2,8-diamine.

Molecular Properties

Compound Name8-N,8-N-dinaphthalen-2-yl-2-N-naphtho[2,1-b][1]benzofuran-10-yl-2-N-phenyldibenzothiophene-2,8-diamine
PubChem CID170044237
Molecular FormulaC54H34N2OS
Molecular Weight758.95 g/mol
Exact Mass758.24
IUPAC Name8-N,8-N-dinaphthalen-2-yl-2-N-naphtho[2,1-b][1]benzofuran-10-yl-2-N-phenyldibenzothiophene-2,8-diamine
SMILESc1ccc(N(c2ccc3sc4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4c3c2)c2ccc3oc4ccc5ccccc5c4c3c2)cc1
InChIInChI=1S/C54H34N2OS/c1-2-15-40(16-3-1)55(43-23-27-50-49(34-43)54-46-17-9-8-12-37(46)20-26-51(54)57-50)44-24-28-52-47(32-44)48-33-45(25-29-53(48)58-52)56(41-21-18-35-10-4-6-13-38(35)30-41)42-22-19-36-11-5-7-14-39(36)31-42/h1-34H
InChIKeyKHWAULGZIBSQGA-UHFFFAOYSA-N
XLogP16.35
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.95
LogP ≤ 516.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-N,8-N-dinaphthalen-2-yl-2-N-naphtho[2,1-b][1]benzofuran-10-yl-2-N-phenyldibenzothiophene-2,8-diamine with MolForge

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Related Compounds

N-naphthalen-2-yl-N-phenylnaphtho[2,1-b][1]benzothiol-10-amine
CID 90263592
N-naphtho[2,3-b][1]benzothiol-2-yl-N-phenyldibenzofuran-2-amine
CID 164799718
N-naphthalen-2-yl-N-naphtho[1,2-b][1]benzothiol-2-ylnaphtho[2,1-b][1]benzofuran-10-amine
CID 176735078
7-N-dibenzothiophen-3-yl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyldibenzothiophene-2,7-diamine
CID 134553264
N-(9-phenanthren-2-yldibenzothiophen-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 172508784
7-N-naphtho[2,1-b][1]benzothiol-9-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 146573607
3-N-dibenzofuran-2-yl-3-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 134198268
7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine
CID 155172930
7-N-dibenzofuran-3-yl-2-N-dibenzothiophen-3-yl-2-N,7-N-diphenylnaphthalene-2,7-diamine
CID 166917120
N-naphtho[2,1-b][1]benzothiol-10-yl-9-phenanthren-2-yl-N-phenyldibenzofuran-2-amine
CID 172508793
N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)dibenzothiophen-3-amine
CID 170031847
N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)dibenzothiophen-2-amine
CID 170032426

Frequently Asked Questions

What is the IUPAC name of 8-N,8-N-dinaphthalen-2-yl-2-N-naphtho[2,1-b][1]benzofuran-10-yl-2-N-phenyldibenzothiophene-2,8-diamine?
The IUPAC name of 8-N,8-N-dinaphthalen-2-yl-2-N-naphtho[2,1-b][1]benzofuran-10-yl-2-N-phenyldibenzothiophene-2,8-diamine (CID 170044237) is 8-N,8-N-dinaphthalen-2-yl-2-N-naphtho[2,1-b][1]benzofuran-10-yl-2-N-phenyldibenzothiophene-2,8-diamine.
What is the SMILES notation for 8-N,8-N-dinaphthalen-2-yl-2-N-naphtho[2,1-b][1]benzofuran-10-yl-2-N-phenyldibenzothiophene-2,8-diamine?
The canonical SMILES for 8-N,8-N-dinaphthalen-2-yl-2-N-naphtho[2,1-b][1]benzofuran-10-yl-2-N-phenyldibenzothiophene-2,8-diamine is c1ccc(N(c2ccc3sc4ccc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)cc4c3c2)c2ccc3oc4ccc5ccccc5c4c3c2)cc1.
What is the InChIKey of 8-N,8-N-dinaphthalen-2-yl-2-N-naphtho[2,1-b][1]benzofuran-10-yl-2-N-phenyldibenzothiophene-2,8-diamine?
The InChIKey is KHWAULGZIBSQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2OS/c1-2-15-40(16-3-1)55(43-23-27-50-49(34-43)54-46-17-9-8-12-37(46)20-26-51(54)57-50)44-24-28-52-47(32-44)48-33-45(25-29-53(48)58-52)56(41-21-18-35-10-4-6-13-38(35)30-41)42-22-19-36-11-5-7-14-39(36)31-42/h1-34H.
What are the key properties of 8-N,8-N-dinaphthalen-2-yl-2-N-naphtho[2,1-b][1]benzofuran-10-yl-2-N-phenyldibenzothiophene-2,8-diamine?
8-N,8-N-dinaphthalen-2-yl-2-N-naphtho[2,1-b][1]benzofuran-10-yl-2-N-phenyldibenzothiophene-2,8-diamine has a molecular weight of 758.95 g/mol, XLogP of 16.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N,8-N-dinaphthalen-2-yl-2-N-naphtho[2,1-b][1]benzofuran-10-yl-2-N-phenyldibenzothiophene-2,8-diamine is sourced from PubChem (CID 170044237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).