6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]chromeno[4,3-b]indole

C36H22N4O — CID 122547797

IUPAC6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]chromeno[4,3-b]indole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4oc5ccccc5c5nc6ccccc6c4-5)c3)n2)cc1
InChIInChI=1S/C36H22N4O/c1-3-12-23(13-4-1)34-38-35(24-14-5-2-6-15-24)40-36(39-34)26-17-11-16-25(22-26)33-31-27-18-7-9-20-29(27)37-32(31)28-19-8-10-21-30(28)41-33/h1-22H
InChIKeyALNLWEJQHJWPQB-UHFFFAOYSA-N
MW526.60 g/mol
LogP8.94
Rot. Bonds4

About 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]chromeno[4,3-b]indole

6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]chromeno[4,3-b]indole (PubChem CID 122547797) has the molecular formula C36H22N4O and a molecular weight of 526.60 g/mol. Its IUPAC name is 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]chromeno[4,3-b]indole.

Molecular Properties

Compound Name6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]chromeno[4,3-b]indole
PubChem CID122547797
Molecular FormulaC36H22N4O
Molecular Weight526.60 g/mol
Exact Mass526.18
IUPAC Name6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]chromeno[4,3-b]indole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4oc5ccccc5c5nc6ccccc6c4-5)c3)n2)cc1
InChIInChI=1S/C36H22N4O/c1-3-12-23(13-4-1)34-38-35(24-14-5-2-6-15-24)40-36(39-34)26-17-11-16-25(22-26)33-31-27-18-7-9-20-29(27)37-32(31)28-19-8-10-21-30(28)41-33/h1-22H
InChIKeyALNLWEJQHJWPQB-UHFFFAOYSA-N
XLogP8.94
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.60
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-3-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoxaline
CID 168746371
6-[4-(3-pyridin-4-ylphenyl)naphthalen-1-yl]chromeno[4,3-b]indole
CID 122547825
2-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,4-diphenylfuro[3,2-c]quinoline
CID 164716861
2-phenyl-14-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 153134734
2-phenyl-14-[4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155246770
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155246237
2-[3-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163603081
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,2-benzoxazole
CID 153493031
2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 138625830
2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155246240
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155246212
14-(4-phenylphenyl)-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155247084

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]chromeno[4,3-b]indole?
The IUPAC name of 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]chromeno[4,3-b]indole (CID 122547797) is 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]chromeno[4,3-b]indole.
What is the SMILES notation for 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]chromeno[4,3-b]indole?
The canonical SMILES for 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]chromeno[4,3-b]indole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4oc5ccccc5c5nc6ccccc6c4-5)c3)n2)cc1.
What is the InChIKey of 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]chromeno[4,3-b]indole?
The InChIKey is ALNLWEJQHJWPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4O/c1-3-12-23(13-4-1)34-38-35(24-14-5-2-6-15-24)40-36(39-34)26-17-11-16-25(22-26)33-31-27-18-7-9-20-29(27)37-32(31)28-19-8-10-21-30(28)41-33/h1-22H.
What are the key properties of 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]chromeno[4,3-b]indole?
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]chromeno[4,3-b]indole has a molecular weight of 526.60 g/mol, XLogP of 8.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]chromeno[4,3-b]indole is sourced from PubChem (CID 122547797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).