9-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]carbazole

C55H34N4O — CID 164834991

IUPAC9-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cc6c(oc7cccc(-n8c9ccccc9c9ccccc98)c76)c6ccccc56)cc4)n3)c2)cc1
InChIInChI=1S/C55H34N4O/c1-3-15-35(16-4-1)39-19-13-20-40(33-39)55-57-53(37-17-5-2-6-18-37)56-54(58-55)38-31-29-36(30-32-38)45-34-46-51-49(27-14-28-50(51)60-52(46)44-24-8-7-21-41(44)45)59-47-25-11-9-22-42(47)43-23-10-12-26-48(43)59/h1-34H
InChIKeyOCDYOFCSLDMXQG-UHFFFAOYSA-N
MW766.90 g/mol
LogP14.36
Rot. Bonds6

About 9-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]carbazole

9-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]carbazole (PubChem CID 164834991) has the molecular formula C55H34N4O and a molecular weight of 766.90 g/mol. Its IUPAC name is 9-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]carbazole.

Molecular Properties

Compound Name9-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]carbazole
PubChem CID164834991
Molecular FormulaC55H34N4O
Molecular Weight766.90 g/mol
Exact Mass766.27
IUPAC Name9-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cc6c(oc7cccc(-n8c9ccccc9c9ccccc98)c76)c6ccccc56)cc4)n3)c2)cc1
InChIInChI=1S/C55H34N4O/c1-3-15-35(16-4-1)39-19-13-20-40(33-39)55-57-53(37-17-5-2-6-18-37)56-54(58-55)38-31-29-36(30-32-38)45-34-46-51-49(27-14-28-50(51)60-52(46)44-24-8-7-21-41(44)45)59-47-25-11-9-22-42(47)43-23-10-12-26-48(43)59/h1-34H
InChIKeyOCDYOFCSLDMXQG-UHFFFAOYSA-N
XLogP14.36
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.90
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
CID 166495889
9-(7-phenyldibenzofuran-1-yl)-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080580
9-[8-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]-3-phenylcarbazole
CID 166744441
9-[4-[5-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]carbazole
CID 164834774
9-[6-[4-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
CID 168769775
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]carbazole
CID 166496047
9-[2-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 166495909
2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole
CID 170080487
9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole
CID 169010518
4-[4-(7-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole
CID 167628015
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzofuran-1-yl]carbazole
CID 163981624
2-[4-[5-(3,5-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818532

Frequently Asked Questions

What is the IUPAC name of 9-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]carbazole?
The IUPAC name of 9-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]carbazole (CID 164834991) is 9-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]carbazole.
What is the SMILES notation for 9-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]carbazole?
The canonical SMILES for 9-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cc6c(oc7cccc(-n8c9ccccc9c9ccccc98)c76)c6ccccc56)cc4)n3)c2)cc1.
What is the InChIKey of 9-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]carbazole?
The InChIKey is OCDYOFCSLDMXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4O/c1-3-15-35(16-4-1)39-19-13-20-40(33-39)55-57-53(37-17-5-2-6-18-37)56-54(58-55)38-31-29-36(30-32-38)45-34-46-51-49(27-14-28-50(51)60-52(46)44-24-8-7-21-41(44)45)59-47-25-11-9-22-42(47)43-23-10-12-26-48(43)59/h1-34H.
What are the key properties of 9-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]carbazole?
9-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]carbazole has a molecular weight of 766.90 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-7-yl]carbazole is sourced from PubChem (CID 164834991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).