2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-diphenylindeno[2,1-d]pyrimidine

C48H31N5 — CID 129265006

IUPAC2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-diphenylindeno[2,1-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc(-c5ncc6c(n5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4c3)n2)cc1
InChIInChI=1S/C48H31N5/c1-5-15-33(16-6-1)45-51-46(34-17-7-2-8-18-34)53-47(52-45)36-28-26-32-25-27-35(29-37(32)30-36)44-49-31-41-40-23-13-14-24-42(40)48(43(41)50-44,38-19-9-3-10-20-38)39-21-11-4-12-22-39/h1-31H
InChIKeyNANIOILLZLUREQ-UHFFFAOYSA-N
MW677.81 g/mol
LogP10.85
Rot. Bonds6

About 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-diphenylindeno[2,1-d]pyrimidine

2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-diphenylindeno[2,1-d]pyrimidine (PubChem CID 129265006) has the molecular formula C48H31N5 and a molecular weight of 677.81 g/mol. Its IUPAC name is 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-diphenylindeno[2,1-d]pyrimidine.

Molecular Properties

Compound Name2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-diphenylindeno[2,1-d]pyrimidine
PubChem CID129265006
Molecular FormulaC48H31N5
Molecular Weight677.81 g/mol
Exact Mass677.26
IUPAC Name2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-diphenylindeno[2,1-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc(-c5ncc6c(n5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4c3)n2)cc1
InChIInChI=1S/C48H31N5/c1-5-15-33(16-6-1)45-51-46(34-17-7-2-8-18-34)53-47(52-45)36-28-26-32-25-27-35(29-37(32)30-36)44-49-31-41-40-23-13-14-24-42(40)48(43(41)50-44,38-19-9-3-10-20-38)39-21-11-4-12-22-39/h1-31H
InChIKeyNANIOILLZLUREQ-UHFFFAOYSA-N
XLogP10.85
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.81
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-diphenylindeno[2,1-d]pyrimidine
CID 129264971
2-chloro-9,9-diphenylindeno[2,1-d]pyrimidine;2,4-diphenyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-1,3,5-triazine;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-diphenylindeno[2,1-d]pyrimidine
CID 162246972
2-[10-[4-(4,6-diphenyl-2-pyridinyl)phenyl]anthracen-9-yl]-9,9-diphenylindeno[2,1-d]pyrimidine;2'-[10-[4-(4,6-diphenyl-2-pyridinyl)phenyl]anthracen-9-yl]spiro[fluorene-9,9'-indeno[2,1-d]pyrimidine];2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 158355693
2-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129265022
2-(9,9-diphenylfluoren-3-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 149082665
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129265024
2-phenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521231
2-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139521317
2-[3-(2-naphthalen-2-yl-9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 137413712
2-naphthalen-2-yl-4-(9-naphthalen-2-ylfluoren-9-yl)-6-phenyl-1,3,5-triazine
CID 164821212
2-[9,9-diphenyl-6-(9-phenylfluoren-9-yl)fluoren-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 162487362
2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 130375020

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-diphenylindeno[2,1-d]pyrimidine?
The IUPAC name of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-diphenylindeno[2,1-d]pyrimidine (CID 129265006) is 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-diphenylindeno[2,1-d]pyrimidine.
What is the SMILES notation for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-diphenylindeno[2,1-d]pyrimidine?
The canonical SMILES for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-diphenylindeno[2,1-d]pyrimidine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc(-c5ncc6c(n5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4c3)n2)cc1.
What is the InChIKey of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-diphenylindeno[2,1-d]pyrimidine?
The InChIKey is NANIOILLZLUREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N5/c1-5-15-33(16-6-1)45-51-46(34-17-7-2-8-18-34)53-47(52-45)36-28-26-32-25-27-35(29-37(32)30-36)44-49-31-41-40-23-13-14-24-42(40)48(43(41)50-44,38-19-9-3-10-20-38)39-21-11-4-12-22-39/h1-31H.
What are the key properties of 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-diphenylindeno[2,1-d]pyrimidine?
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-diphenylindeno[2,1-d]pyrimidine has a molecular weight of 677.81 g/mol, XLogP of 10.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-9,9-diphenylindeno[2,1-d]pyrimidine is sourced from PubChem (CID 129265006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).