5-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole

C45H30N4O — CID 163607189

IUPAC5-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
SMILESC1=CC2c3cc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)ccc3OC2c2c1n(-c1ccccc1)c1ccccc21
InChIInChI=1S/C45H30N4O/c1-4-12-29(13-5-1)30-20-22-32(23-21-30)44-46-43(31-14-6-2-7-15-31)47-45(48-44)33-24-27-40-37(28-33)35-25-26-39-41(42(35)50-40)36-18-10-11-19-38(36)49(39)34-16-8-3-9-17-34/h1-28,35,42H
InChIKeyCDNIRXCFACEYCN-UHFFFAOYSA-N
MW642.76 g/mol
LogP10.73
Rot. Bonds5

About 5-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole

5-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole (PubChem CID 163607189) has the molecular formula C45H30N4O and a molecular weight of 642.76 g/mol. Its IUPAC name is 5-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
PubChem CID163607189
Molecular FormulaC45H30N4O
Molecular Weight642.76 g/mol
Exact Mass642.24
IUPAC Name5-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
SMILESC1=CC2c3cc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)ccc3OC2c2c1n(-c1ccccc1)c1ccccc21
InChIInChI=1S/C45H30N4O/c1-4-12-29(13-5-1)30-20-22-32(23-21-30)44-46-43(31-14-6-2-7-15-31)47-45(48-44)33-24-27-40-37(28-33)35-25-26-39-41(42(35)50-40)36-18-10-11-19-38(36)49(39)34-16-8-3-9-17-34/h1-28,35,42H
InChIKeyCDNIRXCFACEYCN-UHFFFAOYSA-N
XLogP10.73
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.76
LogP ≤ 510.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;5-phenyl-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163546959
5-(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163922728
9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163984558
5-phenyl-9-[4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163859807
9-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163833771
9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163768613
5-phenyl-8-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163966387
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-methyl-5-phenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163641712
5-[3-(4-phenylphenyl)phenyl]-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole;5-(3-phenylphenyl)-8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163676525
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,9-diphenyl-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163985415
(2E)-2-[(Z)-but-2-enylidene]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methylidene-3-phenyl-5a,10a-dihydro-[1]benzofuro[2,3-e]indole
CID 174370587
8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole
CID 163718922

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole (CID 163607189) is 5-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole is C1=CC2c3cc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccccc6)cc5)n4)ccc3OC2c2c1n(-c1ccccc1)c1ccccc21.
What is the InChIKey of 5-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole?
The InChIKey is CDNIRXCFACEYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4O/c1-4-12-29(13-5-1)30-20-22-32(23-21-30)44-46-43(31-14-6-2-7-15-31)47-45(48-44)33-24-27-40-37(28-33)35-25-26-39-41(42(35)50-40)36-18-10-11-19-38(36)49(39)34-16-8-3-9-17-34/h1-28,35,42H.
What are the key properties of 5-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole?
5-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole has a molecular weight of 642.76 g/mol, XLogP of 10.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7a,12a-dihydro-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 163607189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).