1,2,3,4,5,6,7,8-octadeuterio-9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole

C37H24N4 — CID 171461508

IUPAC1,2,3,4,5,6,7,8-octadeuterio-9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccc4ccccc4c3)cc2)n1
InChIInChI=1S/C37H24N4/c1-2-11-27(12-3-1)35-38-36(28-21-18-26(19-22-28)30-23-20-25-10-4-5-13-29(25)24-30)40-37(39-35)41-33-16-8-6-14-31(33)32-15-7-9-17-34(32)41/h1-24H/i6D,7D,8D,9D,14D,15D,16D,17D
InChIKeyHEECIECRUUAAKM-MPTKUDDZSA-N
MW532.68 g/mol
LogP9.12
Rot. Bonds4

About 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole

1,2,3,4,5,6,7,8-octadeuterio-9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole (PubChem CID 171461508) has the molecular formula C37H24N4 and a molecular weight of 532.68 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octadeuterio-9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
PubChem CID171461508
Molecular FormulaC37H24N4
Molecular Weight532.68 g/mol
Exact Mass532.25
IUPAC Name1,2,3,4,5,6,7,8-octadeuterio-9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccc4ccccc4c3)cc2)n1
InChIInChI=1S/C37H24N4/c1-2-11-27(12-3-1)35-38-36(28-21-18-26(19-22-28)30-23-20-25-10-4-5-13-29(25)24-30)40-37(39-35)41-33-16-8-6-14-31(33)32-15-7-9-17-34(32)41/h1-24H/i6D,7D,8D,9D,14D,15D,16D,17D
InChIKeyHEECIECRUUAAKM-MPTKUDDZSA-N
XLogP9.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.68
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,3,4,5,6,7,8-octadeuterio-9-[3-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 170536743
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[4-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 177268201
1,2,3,4-tetradeuterio-7-(4-phenylphenyl)-9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 177275449
1,2,3,4-tetradeuterio-7-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 177275500
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 177267965
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[3-phenyl-5-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 177267955
1,2,3,4-tetradeuterio-7-(2,3,4,5,6-pentadeuteriophenyl)-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 177113402
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[3-phenyl-5-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 177267779
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 177268215
12-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166916791
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180018
1,2,3,4,5,6,7,8-octadeuterio-9-[3-phenyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170536800

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole (CID 171461508) is 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1c([2H])c([2H])c([2H])c([2H])c1n2-c1nc(-c2ccccc2)nc(-c2ccc(-c3ccc4ccccc4c3)cc2)n1.
What is the InChIKey of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
The InChIKey is HEECIECRUUAAKM-MPTKUDDZSA-N. The full InChI is InChI=1S/C37H24N4/c1-2-11-27(12-3-1)35-38-36(28-21-18-26(19-22-28)30-23-20-25-10-4-5-13-29(25)24-30)40-37(39-35)41-33-16-8-6-14-31(33)32-15-7-9-17-34(32)41/h1-24H/i6D,7D,8D,9D,14D,15D,16D,17D.
What are the key properties of 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole?
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole has a molecular weight of 532.68 g/mol, XLogP of 9.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octadeuterio-9-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 171461508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).