7-[4-[4-[3-(7,7-dimethyl-4-naphthalen-2-ylindeno[2,1-h]quinolin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,6-dimethyl-4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-g]quinoline

C100H68N8 — CID 146594852

IUPAC7-[4-[4-[3-(7,7-dimethyl-4-naphthalen-2-ylindeno[2,1-h]quinolin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,6-dimethyl-4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-g]quinoline
SMILESCC1(C)c2ccccc2-c2c1ccc1c(-c3ccc4ccccc4c3)cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6cccc7c6C(C)(C)c6cc8c(-c9ccccc9)cc(-c9cccc(-c%10nc(-c%11ccccc%11)nc(-c%11cccc(-c%12ccccc%12)c%11)n%10)c9)nc8cc6-7)cc5)n4)c3)nc21
InChIInChI=1S/C100H68N8/c1-99(2)84-44-20-19-41-79(84)90-85(99)52-51-78-81(70-50-45-62-27-17-18-34-68(62)53-70)59-88(102-92(78)90)72-37-23-40-75(56-72)97-104-93(65-30-13-7-14-31-65)103-95(107-97)67-48-46-64(47-49-67)76-42-24-43-77-82-60-89-83(57-86(82)100(3,4)91(76)77)80(63-28-11-6-12-29-63)58-87(101-89)71-36-22-39-74(55-71)98-106-94(66-32-15-8-16-33-66)105-96(108-98)73-38-21-35-69(54-73)61-25-9-5-10-26-61/h5-60H,1-4H3
InChIKeyGXSUFUYZHLXPKX-UHFFFAOYSA-N
MW1381.70 g/mol
LogP24.92
Rot. Bonds12

About 7-[4-[4-[3-(7,7-dimethyl-4-naphthalen-2-ylindeno[2,1-h]quinolin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,6-dimethyl-4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-g]quinoline

7-[4-[4-[3-(7,7-dimethyl-4-naphthalen-2-ylindeno[2,1-h]quinolin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,6-dimethyl-4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-g]quinoline (PubChem CID 146594852) has the molecular formula C100H68N8 and a molecular weight of 1381.70 g/mol. Its IUPAC name is 7-[4-[4-[3-(7,7-dimethyl-4-naphthalen-2-ylindeno[2,1-h]quinolin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,6-dimethyl-4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-g]quinoline.

Molecular Properties

Compound Name7-[4-[4-[3-(7,7-dimethyl-4-naphthalen-2-ylindeno[2,1-h]quinolin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,6-dimethyl-4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-g]quinoline
PubChem CID146594852
Molecular FormulaC100H68N8
Molecular Weight1381.70 g/mol
Exact Mass1380.56
IUPAC Name7-[4-[4-[3-(7,7-dimethyl-4-naphthalen-2-ylindeno[2,1-h]quinolin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,6-dimethyl-4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-g]quinoline
SMILESCC1(C)c2ccccc2-c2c1ccc1c(-c3ccc4ccccc4c3)cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6cccc7c6C(C)(C)c6cc8c(-c9ccccc9)cc(-c9cccc(-c%10nc(-c%11ccccc%11)nc(-c%11cccc(-c%12ccccc%12)c%11)n%10)c9)nc8cc6-7)cc5)n4)c3)nc21
InChIInChI=1S/C100H68N8/c1-99(2)84-44-20-19-41-79(84)90-85(99)52-51-78-81(70-50-45-62-27-17-18-34-68(62)53-70)59-88(102-92(78)90)72-37-23-40-75(56-72)97-104-93(65-30-13-7-14-31-65)103-95(107-97)67-48-46-64(47-49-67)76-42-24-43-77-82-60-89-83(57-86(82)100(3,4)91(76)77)80(63-28-11-6-12-29-63)58-87(101-89)71-36-22-39-74(55-71)98-106-94(66-32-15-8-16-33-66)105-96(108-98)73-38-21-35-69(54-73)61-25-9-5-10-26-61/h5-60H,1-4H3
InChIKeyGXSUFUYZHLXPKX-UHFFFAOYSA-N
XLogP24.92
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001381.70
LogP ≤ 524.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[4-[4-[3-(7,7-dimethyl-4-naphthalen-2-ylindeno[2,1-h]quinolin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,6-dimethyl-4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-g]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-[3-(7,7-dimethyl-4-naphthalen-2-ylindeno[2,1-h]quinolin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,6-dimethyl-4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-g]quinoline?
The IUPAC name of 7-[4-[4-[3-(7,7-dimethyl-4-naphthalen-2-ylindeno[2,1-h]quinolin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,6-dimethyl-4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-g]quinoline (CID 146594852) is 7-[4-[4-[3-(7,7-dimethyl-4-naphthalen-2-ylindeno[2,1-h]quinolin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,6-dimethyl-4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-g]quinoline.
What is the SMILES notation for 7-[4-[4-[3-(7,7-dimethyl-4-naphthalen-2-ylindeno[2,1-h]quinolin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,6-dimethyl-4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-g]quinoline?
The canonical SMILES for 7-[4-[4-[3-(7,7-dimethyl-4-naphthalen-2-ylindeno[2,1-h]quinolin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,6-dimethyl-4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-g]quinoline is CC1(C)c2ccccc2-c2c1ccc1c(-c3ccc4ccccc4c3)cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6cccc7c6C(C)(C)c6cc8c(-c9ccccc9)cc(-c9cccc(-c%10nc(-c%11ccccc%11)nc(-c%11cccc(-c%12ccccc%12)c%11)n%10)c9)nc8cc6-7)cc5)n4)c3)nc21.
What is the InChIKey of 7-[4-[4-[3-(7,7-dimethyl-4-naphthalen-2-ylindeno[2,1-h]quinolin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,6-dimethyl-4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-g]quinoline?
The InChIKey is GXSUFUYZHLXPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H68N8/c1-99(2)84-44-20-19-41-79(84)90-85(99)52-51-78-81(70-50-45-62-27-17-18-34-68(62)53-70)59-88(102-92(78)90)72-37-23-40-75(56-72)97-104-93(65-30-13-7-14-31-65)103-95(107-97)67-48-46-64(47-49-67)76-42-24-43-77-82-60-89-83(57-86(82)100(3,4)91(76)77)80(63-28-11-6-12-29-63)58-87(101-89)71-36-22-39-74(55-71)98-106-94(66-32-15-8-16-33-66)105-96(108-98)73-38-21-35-69(54-73)61-25-9-5-10-26-61/h5-60H,1-4H3.
What are the key properties of 7-[4-[4-[3-(7,7-dimethyl-4-naphthalen-2-ylindeno[2,1-h]quinolin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,6-dimethyl-4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-g]quinoline?
7-[4-[4-[3-(7,7-dimethyl-4-naphthalen-2-ylindeno[2,1-h]quinolin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,6-dimethyl-4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-g]quinoline has a molecular weight of 1381.70 g/mol, XLogP of 24.92, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-[3-(7,7-dimethyl-4-naphthalen-2-ylindeno[2,1-h]quinolin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,6-dimethyl-4-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-g]quinoline is sourced from PubChem (CID 146594852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).