5-[3-[4-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-6-[3-(3-phenylcyclohexa-1,3-dien-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenylcarbazole

C74H57N7 — CID 129298815

About 5-[3-[4-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-6-[3-(3-phenylcyclohexa-1,3-dien-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenylcarbazole

5-[3-[4-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-6-[3-(3-phenylcyclohexa-1,3-dien-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenylcarbazole (PubChem CID 129298815) has the molecular formula C74H57N7 and a molecular weight of 1044.32 g/mol. Its IUPAC name is 5-[3-[4-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-6-[3-(3-phenylcyclohexa-1,3-dien-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenylcarbazole.

Molecular Properties

• Compound Name: 5-[3-[4-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-6-[3-(3-phenylcyclohexa-1,3-dien-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenylcarbazole
• PubChem CID: 129298815
• Molecular Formula: C74H57N7
• Molecular Weight: 1044.32 g/mol
• Exact Mass: 1043.47
• IUPAC Name: 5-[3-[4-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-6-[3-(3-phenylcyclohexa-1,3-dien-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenylcarbazole
• SMILES: CC1CC=CC=C1c1nc(-c2ccccc2)nc(-n2c3ccc(-c4ccccc4)cc3c3c(-c4cccc(-c5nc(-c6cccc(C7=CC(c8ccccc8)=CCC7)c6)nc(-c6cccc(C7C=CC=CC7C)c6)n5)c4)cccc32)n1
• InChI: InChI=1S/C74H57N7/c1-48-21-12-14-37-62(48)57-32-18-35-60(45-57)71-75-70(59-34-17-31-55(44-59)54-30-16-29-53(43-54)50-23-6-3-7-24-50)76-72(77-71)61-36-19-33-58(46-61)64-39-20-40-67-68(64)65-47-56(51-25-8-4-9-26-51)41-42-66(65)81(67)74-79-69(52-27-10-5-11-28-52)78-73(80-74)63-38-15-13-22-49(63)2/h3-15,17-21,23-29,31-49,62H,16,22,30H2,1-2H3
• InChIKey: JPZAOXMXSNDPPK-UHFFFAOYSA-N
• XLogP: 18.24
• TPSA: 82.27 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1044.32
LogP ≤ 5	18.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-6-[3-(3-phenylcyclohexa-1,3-dien-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenylcarbazole?

The IUPAC name of 5-[3-[4-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-6-[3-(3-phenylcyclohexa-1,3-dien-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenylcarbazole (CID 129298815) is 5-[3-[4-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-6-[3-(3-phenylcyclohexa-1,3-dien-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenylcarbazole.

What is the SMILES notation for 5-[3-[4-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-6-[3-(3-phenylcyclohexa-1,3-dien-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenylcarbazole?

The canonical SMILES for 5-[3-[4-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-6-[3-(3-phenylcyclohexa-1,3-dien-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenylcarbazole is CC1CC=CC=C1c1nc(-c2ccccc2)nc(-n2c3ccc(-c4ccccc4)cc3c3c(-c4cccc(-c5nc(-c6cccc(C7=CC(c8ccccc8)=CCC7)c6)nc(-c6cccc(C7C=CC=CC7C)c6)n5)c4)cccc32)n1.

What is the InChIKey of 5-[3-[4-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-6-[3-(3-phenylcyclohexa-1,3-dien-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenylcarbazole?

The InChIKey is JPZAOXMXSNDPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H57N7/c1-48-21-12-14-37-62(48)57-32-18-35-60(45-57)71-75-70(59-34-17-31-55(44-59)54-30-16-29-53(43-54)50-23-6-3-7-24-50)76-72(77-71)61-36-19-33-58(46-61)64-39-20-40-67-68(64)65-47-56(51-25-8-4-9-26-51)41-42-66(65)81(67)74-79-69(52-27-10-5-11-28-52)78-73(80-74)63-38-15-13-22-49(63)2/h3-15,17-21,23-29,31-49,62H,16,22,30H2,1-2H3.

What are the key properties of 5-[3-[4-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-6-[3-(3-phenylcyclohexa-1,3-dien-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenylcarbazole?

5-[3-[4-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-6-[3-(3-phenylcyclohexa-1,3-dien-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenylcarbazole has a molecular weight of 1044.32 g/mol, XLogP of 18.24, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-6-[3-(3-phenylcyclohexa-1,3-dien-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenylcarbazole is sourced from PubChem (CID 129298815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).