6-phenyl-4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5H-indeno[1,2-d]pyrimidine

C44H29N5 — CID 118243379

IUPAC6-phenyl-4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5H-indeno[1,2-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ncnc6c5Cc5c(-c7ccccc7)cccc5-6)c4)n3)cc2)cc1
InChIInChI=1S/C44H29N5/c1-4-12-29(13-5-1)30-22-24-33(25-23-30)43-47-42(32-16-8-3-9-17-32)48-44(49-43)35-19-10-18-34(26-35)40-39-27-38-36(31-14-6-2-7-15-31)20-11-21-37(38)41(39)46-28-45-40/h1-26,28H,27H2
InChIKeyXIGZGXWKFHCHIQ-UHFFFAOYSA-N
MW627.75 g/mol
LogP10.23
Rot. Bonds6

About 6-phenyl-4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5H-indeno[1,2-d]pyrimidine

6-phenyl-4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5H-indeno[1,2-d]pyrimidine (PubChem CID 118243379) has the molecular formula C44H29N5 and a molecular weight of 627.75 g/mol. Its IUPAC name is 6-phenyl-4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5H-indeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name6-phenyl-4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5H-indeno[1,2-d]pyrimidine
PubChem CID118243379
Molecular FormulaC44H29N5
Molecular Weight627.75 g/mol
Exact Mass627.24
IUPAC Name6-phenyl-4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5H-indeno[1,2-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ncnc6c5Cc5c(-c7ccccc7)cccc5-6)c4)n3)cc2)cc1
InChIInChI=1S/C44H29N5/c1-4-12-29(13-5-1)30-22-24-33(25-23-30)43-47-42(32-16-8-3-9-17-32)48-44(49-43)35-19-10-18-34(26-35)40-39-27-38-36(31-14-6-2-7-15-31)20-11-21-37(38)41(39)46-28-45-40/h1-26,28H,27H2
InChIKeyXIGZGXWKFHCHIQ-UHFFFAOYSA-N
XLogP10.23
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.75
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-diphenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;methane
CID 162159408
2,4-diphenyl-6-[3-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-[3-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[3-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[4-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[4-[3-(8-phenyl-9H-fluoren-1-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 158972652
methane;2-phenyl-4-(4-phenylphenyl)-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 159922671
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[4-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 171052510
4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]-5H-indeno[1,2-d]pyrimidine
CID 118243296
2,4-bis(4-methylphenyl)-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;2,4-bis(4-methylphenyl)-6-[4-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;bis(2-[4-[8-[4-(4-methylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine);2-(4-methylphenyl)-4-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-6-[4-(trideuteriomethyl)phenyl]-1,3,5-triazine;2-(4-methylphenyl)-4-[4-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-6-[4-(trideuteriomethyl)phenyl]-1,3,5-triazine
CID 158450582
2-[3-(6,8-diphenyl-9H-fluoren-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[6-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[6-(4-phenylphenyl)-9H-fluoren-1-yl]-1,3,5-triazine
CID 159788498
2-[4-[8-[4-(4-methylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134509781
2,4-diphenyl-6-[3-[8-(3-phenylphenyl)-9H-fluoren-3-yl]phenyl]-1,3,5-triazine
CID 118685423
2,4-diphenyl-6-[3-[3-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 118685413
2,4-diphenyl-6-[3-[6-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 118685425
2,4-bis[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine;2,4-bis(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(2-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4,6-bis[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 159629577

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5H-indeno[1,2-d]pyrimidine?
The IUPAC name of 6-phenyl-4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5H-indeno[1,2-d]pyrimidine (CID 118243379) is 6-phenyl-4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5H-indeno[1,2-d]pyrimidine.
What is the SMILES notation for 6-phenyl-4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5H-indeno[1,2-d]pyrimidine?
The canonical SMILES for 6-phenyl-4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5H-indeno[1,2-d]pyrimidine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ncnc6c5Cc5c(-c7ccccc7)cccc5-6)c4)n3)cc2)cc1.
What is the InChIKey of 6-phenyl-4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5H-indeno[1,2-d]pyrimidine?
The InChIKey is XIGZGXWKFHCHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N5/c1-4-12-29(13-5-1)30-22-24-33(25-23-30)43-47-42(32-16-8-3-9-17-32)48-44(49-43)35-19-10-18-34(26-35)40-39-27-38-36(31-14-6-2-7-15-31)20-11-21-37(38)41(39)46-28-45-40/h1-26,28H,27H2.
What are the key properties of 6-phenyl-4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5H-indeno[1,2-d]pyrimidine?
6-phenyl-4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5H-indeno[1,2-d]pyrimidine has a molecular weight of 627.75 g/mol, XLogP of 10.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5H-indeno[1,2-d]pyrimidine is sourced from PubChem (CID 118243379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).