10-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-8-naphthalen-2-yl-8,9-dihydro-[1]benzofuro[3,2-b]indole

C45H34N4O — CID 130180958

IUPAC10-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-8-naphthalen-2-yl-8,9-dihydro-[1]benzofuro[3,2-b]indole
SMILESC1=CC(c2ccc3ccccc3c2)Cc2c1oc1c3ccccc3n(-c3cccc(C4=NC(c5ccccc5)NC(c5ccccc5)N4)c3)c21
InChIInChI=1S/C45H34N4O/c1-3-13-30(14-4-1)43-46-44(31-15-5-2-6-16-31)48-45(47-43)35-18-11-19-36(27-35)49-39-21-10-9-20-37(39)42-41(49)38-28-34(24-25-40(38)50-42)33-23-22-29-12-7-8-17-32(29)26-33/h1-27,34,43-44,46H,28H2,(H,47,48)
InChIKeyZOQUKXJGUPRODE-UHFFFAOYSA-N
MW646.79 g/mol
LogP10.22
Rot. Bonds5

About 10-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-8-naphthalen-2-yl-8,9-dihydro-[1]benzofuro[3,2-b]indole

10-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-8-naphthalen-2-yl-8,9-dihydro-[1]benzofuro[3,2-b]indole (PubChem CID 130180958) has the molecular formula C45H34N4O and a molecular weight of 646.79 g/mol. Its IUPAC name is 10-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-8-naphthalen-2-yl-8,9-dihydro-[1]benzofuro[3,2-b]indole.

Molecular Properties

Compound Name10-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-8-naphthalen-2-yl-8,9-dihydro-[1]benzofuro[3,2-b]indole
PubChem CID130180958
Molecular FormulaC45H34N4O
Molecular Weight646.79 g/mol
Exact Mass646.27
IUPAC Name10-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-8-naphthalen-2-yl-8,9-dihydro-[1]benzofuro[3,2-b]indole
SMILESC1=CC(c2ccc3ccccc3c2)Cc2c1oc1c3ccccc3n(-c3cccc(C4=NC(c5ccccc5)NC(c5ccccc5)N4)c3)c21
InChIInChI=1S/C45H34N4O/c1-3-13-30(14-4-1)43-46-44(31-15-5-2-6-16-31)48-45(47-43)35-18-11-19-36(27-35)49-39-21-10-9-20-37(39)42-41(49)38-28-34(24-25-40(38)50-42)33-23-22-29-12-7-8-17-32(29)26-33/h1-27,34,43-44,46H,28H2,(H,47,48)
InChIKeyZOQUKXJGUPRODE-UHFFFAOYSA-N
XLogP10.22
TPSA54.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.79
LogP ≤ 510.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 10-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-8-naphthalen-2-yl-8,9-dihydro-[1]benzofuro[3,2-b]indole with MolForge

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Related Compounds

24-[3-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]phenyl]-2,13-dioxa-24-azahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1(14),3(12),4,6,8,10,15,17(25),18,20,22-undecaene
CID 163543654
11-[4-(4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 163563553
9-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3-(6-phenyldibenzofuran-4-yl)carbazole
CID 145085338
24-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 145080034
9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 126628162
5-[3-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 145085378
12-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 145085542
3-[9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90132067
12-[3-(2-dibenzothiophen-4-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166961184
15-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-18-phenyl-5-oxa-15,18-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17(25),19,21,23,26-dodecaene
CID 126677996
9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 129156452
12-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 145085099

Frequently Asked Questions

What is the IUPAC name of 10-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-8-naphthalen-2-yl-8,9-dihydro-[1]benzofuro[3,2-b]indole?
The IUPAC name of 10-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-8-naphthalen-2-yl-8,9-dihydro-[1]benzofuro[3,2-b]indole (CID 130180958) is 10-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-8-naphthalen-2-yl-8,9-dihydro-[1]benzofuro[3,2-b]indole.
What is the SMILES notation for 10-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-8-naphthalen-2-yl-8,9-dihydro-[1]benzofuro[3,2-b]indole?
The canonical SMILES for 10-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-8-naphthalen-2-yl-8,9-dihydro-[1]benzofuro[3,2-b]indole is C1=CC(c2ccc3ccccc3c2)Cc2c1oc1c3ccccc3n(-c3cccc(C4=NC(c5ccccc5)NC(c5ccccc5)N4)c3)c21.
What is the InChIKey of 10-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-8-naphthalen-2-yl-8,9-dihydro-[1]benzofuro[3,2-b]indole?
The InChIKey is ZOQUKXJGUPRODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34N4O/c1-3-13-30(14-4-1)43-46-44(31-15-5-2-6-16-31)48-45(47-43)35-18-11-19-36(27-35)49-39-21-10-9-20-37(39)42-41(49)38-28-34(24-25-40(38)50-42)33-23-22-29-12-7-8-17-32(29)26-33/h1-27,34,43-44,46H,28H2,(H,47,48).
What are the key properties of 10-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-8-naphthalen-2-yl-8,9-dihydro-[1]benzofuro[3,2-b]indole?
10-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-8-naphthalen-2-yl-8,9-dihydro-[1]benzofuro[3,2-b]indole has a molecular weight of 646.79 g/mol, XLogP of 10.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-8-naphthalen-2-yl-8,9-dihydro-[1]benzofuro[3,2-b]indole is sourced from PubChem (CID 130180958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).