5-phenyl-10-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole

C45H28N4O — CID 163599158

IUPAC5-phenyl-10-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4c5ccc5c4c4ccccc4n5-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C45H28N4O/c1-4-13-29(14-5-1)31-17-12-18-32(27-31)44-46-43(30-15-6-2-7-16-30)47-45(48-44)33-23-24-35-36-25-26-39-41(42(36)50-40(35)28-33)37-21-10-11-22-38(37)49(39)34-19-8-3-9-20-34/h1-28H
InChIKeyGWCREQKDUQNCKO-UHFFFAOYSA-N
MW640.75 g/mol
LogP11.54
Rot. Bonds5

About 5-phenyl-10-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole

5-phenyl-10-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 163599158) has the molecular formula C45H28N4O and a molecular weight of 640.75 g/mol. Its IUPAC name is 5-phenyl-10-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-phenyl-10-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
PubChem CID163599158
Molecular FormulaC45H28N4O
Molecular Weight640.75 g/mol
Exact Mass640.23
IUPAC Name5-phenyl-10-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4c5ccc5c4c4ccccc4n5-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C45H28N4O/c1-4-13-29(14-5-1)31-17-12-18-32(27-31)44-46-43(30-15-6-2-7-16-30)47-45(48-44)33-23-24-35-36-25-26-39-41(42(36)50-40(35)28-33)37-21-10-11-22-38(37)49(39)34-19-8-3-9-20-34/h1-28H
InChIKeyGWCREQKDUQNCKO-UHFFFAOYSA-N
XLogP11.54
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.75
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-phenyl-10-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 163942946
5-[4-(3-phenylphenyl)phenyl]-10-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 163650923
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[4-(3-phenylphenyl)phenyl]-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 163446245
10-[4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;10-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 163782384
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 134489560
10-[4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 163708146
9-phenyl-3-[3-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]carbazole
CID 166009381
9-[4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 169014536
3-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 146702712
3,9-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 166009426
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-9-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole;10-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-10-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 165103461
9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 169015013

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-10-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-phenyl-10-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole (CID 163599158) is 5-phenyl-10-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-phenyl-10-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-phenyl-10-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4c5ccc5c4c4ccccc4n5-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 5-phenyl-10-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is GWCREQKDUQNCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4O/c1-4-13-29(14-5-1)31-17-12-18-32(27-31)44-46-43(30-15-6-2-7-16-30)47-45(48-44)33-23-24-35-36-25-26-39-41(42(36)50-40(35)28-33)37-21-10-11-22-38(37)49(39)34-19-8-3-9-20-34/h1-28H.
What are the key properties of 5-phenyl-10-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole?
5-phenyl-10-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 640.75 g/mol, XLogP of 11.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-10-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 163599158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).