4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenyl-9H-indeno[2,1-c]pyridine

C45H29N5 — CID 163689647

IUPAC4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenyl-9H-indeno[2,1-c]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cncc6c5-c5ccccc5C6c5ccccc5)ccc43)n2)cc1
InChIInChI=1S/C45H29N5/c1-4-14-29(15-5-1)41-34-21-10-11-22-35(34)42-37(27-46-28-38(41)42)32-24-25-40-36(26-32)33-20-12-13-23-39(33)50(40)45-48-43(30-16-6-2-7-17-30)47-44(49-45)31-18-8-3-9-19-31/h1-28,41H
InChIKeyJRWIRZLCAKNVKV-UHFFFAOYSA-N
MW639.76 g/mol
LogP10.53
Rot. Bonds5

About 4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenyl-9H-indeno[2,1-c]pyridine

4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenyl-9H-indeno[2,1-c]pyridine (PubChem CID 163689647) has the molecular formula C45H29N5 and a molecular weight of 639.76 g/mol. Its IUPAC name is 4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenyl-9H-indeno[2,1-c]pyridine.

Molecular Properties

Compound Name4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenyl-9H-indeno[2,1-c]pyridine
PubChem CID163689647
Molecular FormulaC45H29N5
Molecular Weight639.76 g/mol
Exact Mass639.24
IUPAC Name4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenyl-9H-indeno[2,1-c]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cncc6c5-c5ccccc5C6c5ccccc5)ccc43)n2)cc1
InChIInChI=1S/C45H29N5/c1-4-14-29(15-5-1)41-34-21-10-11-22-35(34)42-37(27-46-28-38(41)42)32-24-25-40-36(26-32)33-20-12-13-23-39(33)50(40)45-48-43(30-16-6-2-7-17-30)47-44(49-45)31-18-8-3-9-19-31/h1-28,41H
InChIKeyJRWIRZLCAKNVKV-UHFFFAOYSA-N
XLogP10.53
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.76
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(9H-fluoren-9-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 176723054
7-carbazol-9-yl-12-phenyl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-4-yl)-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole
CID 168729367
3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 146573156
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146573165
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(2-phenylphenyl)carbazole
CID 142377778
3-carbazol-9-yl-9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572883
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(9H-fluoren-9-yl)phenyl]indolo[2,3-a]carbazole
CID 170268470
3-(9-phenyldibenzofuran-1-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 167309800
3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 170253658
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(3-phenylcarbazol-9-yl)carbazole
CID 58556490
1-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[4-[3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline
CID 126632834
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]phenyl]-9-pyridin-4-ylcarbazole
CID 118487847

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenyl-9H-indeno[2,1-c]pyridine?
The IUPAC name of 4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenyl-9H-indeno[2,1-c]pyridine (CID 163689647) is 4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenyl-9H-indeno[2,1-c]pyridine.
What is the SMILES notation for 4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenyl-9H-indeno[2,1-c]pyridine?
The canonical SMILES for 4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenyl-9H-indeno[2,1-c]pyridine is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cncc6c5-c5ccccc5C6c5ccccc5)ccc43)n2)cc1.
What is the InChIKey of 4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenyl-9H-indeno[2,1-c]pyridine?
The InChIKey is JRWIRZLCAKNVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N5/c1-4-14-29(15-5-1)41-34-21-10-11-22-35(34)42-37(27-46-28-38(41)42)32-24-25-40-36(26-32)33-20-12-13-23-39(33)50(40)45-48-43(30-16-6-2-7-17-30)47-44(49-45)31-18-8-3-9-19-31/h1-28,41H.
What are the key properties of 4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenyl-9H-indeno[2,1-c]pyridine?
4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenyl-9H-indeno[2,1-c]pyridine has a molecular weight of 639.76 g/mol, XLogP of 10.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenyl-9H-indeno[2,1-c]pyridine is sourced from PubChem (CID 163689647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).