N-dibenzofuran-4-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazol-10-amine

C59H41N5OS — CID 145128649

IUPACN-dibenzofuran-4-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazol-10-amine
SMILESCS1(C)c2ccccc2-c2cc3c4cc(N(c5ccc(-c6ccccc6)cc5)c5cccc6c5oc5ccccc56)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21
InChIInChI=1S/C59H41N5OS/c1-66(2)54-28-15-13-24-45(54)49-36-48-47-35-43(63(42-31-29-39(30-32-42)38-17-6-3-7-18-38)51-26-16-25-46-44-23-12-14-27-53(44)65-56(46)51)33-34-50(47)64(52(48)37-55(49)66)59-61-57(40-19-8-4-9-20-40)60-58(62-59)41-21-10-5-11-22-41/h3-37H,1-2H3
InChIKeyOPDZWLGRNFABNW-UHFFFAOYSA-N
MW868.08 g/mol
LogP15.80
Rot. Bonds7

About N-dibenzofuran-4-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazol-10-amine

N-dibenzofuran-4-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazol-10-amine (PubChem CID 145128649) has the molecular formula C59H41N5OS and a molecular weight of 868.08 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazol-10-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazol-10-amine
PubChem CID145128649
Molecular FormulaC59H41N5OS
Molecular Weight868.08 g/mol
Exact Mass867.30
IUPAC NameN-dibenzofuran-4-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazol-10-amine
SMILESCS1(C)c2ccccc2-c2cc3c4cc(N(c5ccc(-c6ccccc6)cc5)c5cccc6c5oc5ccccc56)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21
InChIInChI=1S/C59H41N5OS/c1-66(2)54-28-15-13-24-45(54)49-36-48-47-35-43(63(42-31-29-39(30-32-42)38-17-6-3-7-18-38)51-26-16-25-46-44-23-12-14-27-53(44)65-56(46)51)33-34-50(47)64(52(48)37-55(49)66)59-61-57(40-19-8-4-9-20-40)60-58(62-59)41-21-10-5-11-22-41/h3-37H,1-2H3
InChIKeyOPDZWLGRNFABNW-UHFFFAOYSA-N
XLogP15.80
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.08
LogP ≤ 515.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-dibenzofuran-4-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazol-10-amine with MolForge

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Related Compounds

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N-[3-(4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15,17,19,22(27),23,25,28(32),29-pentadecaen-25-yl)phenyl]-7-[6-[N-[4-(4-oxa-21-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),5,7,9,12,15,17,19,22(27),23,25,28(32),29-pentadecaen-25-yl)phenyl]-4-(4-phenylphenyl)anilino]dibenzofuran-2-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167166885

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazol-10-amine?
The IUPAC name of N-dibenzofuran-4-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazol-10-amine (CID 145128649) is N-dibenzofuran-4-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazol-10-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazol-10-amine?
The canonical SMILES for N-dibenzofuran-4-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazol-10-amine is CS1(C)c2ccccc2-c2cc3c4cc(N(c5ccc(-c6ccccc6)cc5)c5cccc6c5oc5ccccc56)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21.
What is the InChIKey of N-dibenzofuran-4-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazol-10-amine?
The InChIKey is OPDZWLGRNFABNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N5OS/c1-66(2)54-28-15-13-24-45(54)49-36-48-47-35-43(63(42-31-29-39(30-32-42)38-17-6-3-7-18-38)51-26-16-25-46-44-23-12-14-27-53(44)65-56(46)51)33-34-50(47)64(52(48)37-55(49)66)59-61-57(40-19-8-4-9-20-40)60-58(62-59)41-21-10-5-11-22-41/h3-37H,1-2H3.
What are the key properties of N-dibenzofuran-4-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazol-10-amine?
N-dibenzofuran-4-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazol-10-amine has a molecular weight of 868.08 g/mol, XLogP of 15.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,5-dimethyl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazol-10-amine is sourced from PubChem (CID 145128649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).