3-[2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-5'-naphthalen-2-ylspiro[indeno[1,2-b]pyridine-5,8'-thiochromeno[3,2-c]phenoxazine]

C63H41N5OS — CID 165162416

About 3-[2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-5'-naphthalen-2-ylspiro[indeno[1,2-b]pyridine-5,8'-thiochromeno[3,2-c]phenoxazine]

3-[2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-5'-naphthalen-2-ylspiro[indeno[1,2-b]pyridine-5,8'-thiochromeno[3,2-c]phenoxazine] (PubChem CID 165162416) has the molecular formula C63H41N5OS and a molecular weight of 916.12 g/mol. Its IUPAC name is 3-[2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-5'-naphthalen-2-ylspiro[indeno[1,2-b]pyridine-5,8'-thiochromeno[3,2-c]phenoxazine].

Molecular Properties

• Compound Name: 3-[2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-5'-naphthalen-2-ylspiro[indeno[1,2-b]pyridine-5,8'-thiochromeno[3,2-c]phenoxazine]
• PubChem CID: 165162416
• Molecular Formula: C63H41N5OS
• Molecular Weight: 916.12 g/mol
• Exact Mass: 915.30
• IUPAC Name: 3-[2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-5'-naphthalen-2-ylspiro[indeno[1,2-b]pyridine-5,8'-thiochromeno[3,2-c]phenoxazine]
• SMILES: Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccccc3-c3cnc4c(c3)C3(c5ccccc5Sc5c3ccc3c5Oc5ccccc5N3c3ccc5ccccc5c3)c3ccccc3-4)n2)cc1
• InChI: InChI=1S/C63H41N5OS/c1-38-23-27-41(28-24-38)60-65-61(42-29-25-39(2)26-30-42)67-62(66-60)47-16-6-5-15-46(47)44-36-52-57(64-37-44)48-17-7-8-18-49(48)63(52)50-19-9-12-22-56(50)70-59-51(63)33-34-54-58(59)69-55-21-11-10-20-53(55)68(54)45-32-31-40-13-3-4-14-43(40)35-45/h3-37H,1-2H3
• InChIKey: HIPXFBQBBSNXQK-UHFFFAOYSA-N
• XLogP: 16.11
• TPSA: 64.03 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	916.12
LogP ≤ 5	16.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-5'-naphthalen-2-ylspiro[indeno[1,2-b]pyridine-5,8'-thiochromeno[3,2-c]phenoxazine]?

The IUPAC name of 3-[2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-5'-naphthalen-2-ylspiro[indeno[1,2-b]pyridine-5,8'-thiochromeno[3,2-c]phenoxazine] (CID 165162416) is 3-[2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-5'-naphthalen-2-ylspiro[indeno[1,2-b]pyridine-5,8'-thiochromeno[3,2-c]phenoxazine].

What is the SMILES notation for 3-[2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-5'-naphthalen-2-ylspiro[indeno[1,2-b]pyridine-5,8'-thiochromeno[3,2-c]phenoxazine]?

The canonical SMILES for 3-[2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-5'-naphthalen-2-ylspiro[indeno[1,2-b]pyridine-5,8'-thiochromeno[3,2-c]phenoxazine] is Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3ccccc3-c3cnc4c(c3)C3(c5ccccc5Sc5c3ccc3c5Oc5ccccc5N3c3ccc5ccccc5c3)c3ccccc3-4)n2)cc1.

What is the InChIKey of 3-[2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-5'-naphthalen-2-ylspiro[indeno[1,2-b]pyridine-5,8'-thiochromeno[3,2-c]phenoxazine]?

The InChIKey is HIPXFBQBBSNXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N5OS/c1-38-23-27-41(28-24-38)60-65-61(42-29-25-39(2)26-30-42)67-62(66-60)47-16-6-5-15-46(47)44-36-52-57(64-37-44)48-17-7-8-18-49(48)63(52)50-19-9-12-22-56(50)70-59-51(63)33-34-54-58(59)69-55-21-11-10-20-53(55)68(54)45-32-31-40-13-3-4-14-43(40)35-45/h3-37H,1-2H3.

What are the key properties of 3-[2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-5'-naphthalen-2-ylspiro[indeno[1,2-b]pyridine-5,8'-thiochromeno[3,2-c]phenoxazine]?

3-[2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-5'-naphthalen-2-ylspiro[indeno[1,2-b]pyridine-5,8'-thiochromeno[3,2-c]phenoxazine] has a molecular weight of 916.12 g/mol, XLogP of 16.11, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-5'-naphthalen-2-ylspiro[indeno[1,2-b]pyridine-5,8'-thiochromeno[3,2-c]phenoxazine] is sourced from PubChem (CID 165162416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).