2,4-diphenyl-6-(4-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-1,3,5-triazine

C41H27N3 — CID 170722181

IUPAC2,4-diphenyl-6-(4-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)C2(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc4C3c3ccccc32)cc1
InChIInChI=1S/C41H27N3/c1-4-14-27(15-5-1)30-24-25-33-36(26-30)41(34-22-12-10-20-31(34)37(33)32-21-11-13-23-35(32)41)40-43-38(28-16-6-2-7-17-28)42-39(44-40)29-18-8-3-9-19-29/h1-26,37H
InChIKeyAXRQJVBVXBGQHW-UHFFFAOYSA-N
MW561.69 g/mol
LogP9.06
Rot. Bonds4

About 2,4-diphenyl-6-(4-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-1,3,5-triazine

2,4-diphenyl-6-(4-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-1,3,5-triazine (PubChem CID 170722181) has the molecular formula C41H27N3 and a molecular weight of 561.69 g/mol. Its IUPAC name is 2,4-diphenyl-6-(4-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-(4-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-1,3,5-triazine
PubChem CID170722181
Molecular FormulaC41H27N3
Molecular Weight561.69 g/mol
Exact Mass561.22
IUPAC Name2,4-diphenyl-6-(4-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)C2(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc4C3c3ccccc32)cc1
InChIInChI=1S/C41H27N3/c1-4-14-27(15-5-1)30-24-25-33-36(26-30)41(34-22-12-10-20-31(34)37(33)32-21-11-13-23-35(32)41)40-43-38(28-16-6-2-7-17-28)42-39(44-40)29-18-8-3-9-19-29/h1-26,37H
InChIKeyAXRQJVBVXBGQHW-UHFFFAOYSA-N
XLogP9.06
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.69
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-diphenyl-6-(4-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-1,3,5-triazine with MolForge

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Related Compounds

2,4-diphenyl-6-(5-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-1,3,5-triazine
CID 170722231
2,4-diphenyl-6-[11-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine
CID 165150876
2-dibenzofuran-4-yl-4-(1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 174262887
2-[3-[3-(1-naphthalen-2-yl-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)phenyl]-5-pyridin-4-ylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 163569896
bis(2-[4-[11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-4,6-diphenyl-1,3,5-triazine);bis(2-phenyl-4-(3-phenylphenyl)-6-[11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine)
CID 167580611
2-(8-bromo-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 174264142
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 165150755
2-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine
CID 165150875
2,4-bis[4-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 166571194
2-phenyl-4-[4-[11-[4-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-pyridin-4-yl-1,3,5-triazine
CID 165151206
2,4-diphenyl-6-[11-[2-phenyl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine
CID 165150730
2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 129150894

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(4-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-(4-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-1,3,5-triazine (CID 170722181) is 2,4-diphenyl-6-(4-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-(4-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-(4-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-1,3,5-triazine is c1ccc(-c2ccc3c(c2)C2(c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc4C3c3ccccc32)cc1.
What is the InChIKey of 2,4-diphenyl-6-(4-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-1,3,5-triazine?
The InChIKey is AXRQJVBVXBGQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3/c1-4-14-27(15-5-1)30-24-25-33-36(26-30)41(34-22-12-10-20-31(34)37(33)32-21-11-13-23-35(32)41)40-43-38(28-16-6-2-7-17-28)42-39(44-40)29-18-8-3-9-19-29/h1-26,37H.
What are the key properties of 2,4-diphenyl-6-(4-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-1,3,5-triazine?
2,4-diphenyl-6-(4-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-1,3,5-triazine has a molecular weight of 561.69 g/mol, XLogP of 9.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(4-phenyl-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)-1,3,5-triazine is sourced from PubChem (CID 170722181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).