2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(4-phenylphenyl)-1,3,5-triazine;4'-[4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]

C186H120N10S3 — CID 167545940

About 2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(4-phenylphenyl)-1,3,5-triazine;4'-[4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]

2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(4-phenylphenyl)-1,3,5-triazine;4'-[4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] (PubChem CID 167545940) has the molecular formula C186H120N10S3 and a molecular weight of 2591.28 g/mol. Its IUPAC name is 2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(4-phenylphenyl)-1,3,5-triazine;4'-[4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene].

Molecular Properties

• Compound Name: 2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(4-phenylphenyl)-1,3,5-triazine;4'-[4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
• PubChem CID: 167545940
• Molecular Formula: C186H120N10S3
• Molecular Weight: 2591.28 g/mol
• Exact Mass: 2588.89
• IUPAC Name: 2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(4-phenylphenyl)-1,3,5-triazine;4'-[4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
• SMILES: CC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4nc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)nc(-c5ccccc5-c5ccccc5)n4)cccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)n4)cccc32)c2ccccc21.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)nc(-c4cccc5c4-c4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)n3)cc2)cc1
• InChI: InChI=1S/C64H38N4S.2C61H41N3S/c1-2-15-39(16-3-1)40-31-35-42(36-32-40)61-65-62(43-37-33-41(34-38-43)44-20-12-22-48-46-18-6-11-30-57(46)69-60(44)48)67-63(66-61)50-23-14-26-53-58(50)49-19-4-7-24-51(49)64(53)52-25-8-10-29-56(52)68-55-28-9-5-17-45(55)47-21-13-27-54(64)59(47)68;1-60(2)49-24-9-11-26-51(49)61(52-27-12-10-25-50(52)60)48-23-8-6-19-46(48)55-47(22-15-28-53(55)61)59-63-57(41-34-30-39(31-35-41)38-16-4-3-5-17-38)62-58(64-59)42-36-32-40(33-37-42)43-20-14-21-45-44-18-7-13-29-54(44)65-56(43)45;1-60(2)49-28-11-13-30-51(49)61(52-31-14-12-29-50(52)60)48-27-10-8-23-46(48)55-47(26-17-32-53(55)61)59-63-57(62-58(64-59)45-22-7-6-20-41(45)38-18-4-3-5-19-38)40-36-34-39(35-37-40)42-24-16-25-44-43-21-9-15-33-54(43)65-56(42)44/h1-38H;2*3-37H,1-2H3
• InChIKey: BUFBVIIOPUWWAD-UHFFFAOYSA-N
• XLogP: 47.50
• TPSA: 120.94 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2591.28
LogP ≤ 5	47.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(4-phenylphenyl)-1,3,5-triazine;4'-[4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

The IUPAC name of 2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(4-phenylphenyl)-1,3,5-triazine;4'-[4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] (CID 167545940) is 2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(4-phenylphenyl)-1,3,5-triazine;4'-[4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene].

What is the SMILES notation for 2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(4-phenylphenyl)-1,3,5-triazine;4'-[4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

The canonical SMILES for 2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(4-phenylphenyl)-1,3,5-triazine;4'-[4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] is CC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4nc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)nc(-c5ccccc5-c5ccccc5)n4)cccc32)c2ccccc21.CC1(C)c2ccccc2C2(c3ccccc3-c3c(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)n4)cccc32)c2ccccc21.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)nc(-c4cccc5c4-c4ccccc4C54c5ccccc5-n5c6ccccc6c6cccc4c65)n3)cc2)cc1.

What is the InChIKey of 2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(4-phenylphenyl)-1,3,5-triazine;4'-[4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

The InChIKey is BUFBVIIOPUWWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H38N4S.2C61H41N3S/c1-2-15-39(16-3-1)40-31-35-42(36-32-40)61-65-62(43-37-33-41(34-38-43)44-20-12-22-48-46-18-6-11-30-57(46)69-60(44)48)67-63(66-61)50-23-14-26-53-58(50)49-19-4-7-24-51(49)64(53)52-25-8-10-29-56(52)68-55-28-9-5-17-45(55)47-21-13-27-54(64)59(47)68;1-60(2)49-24-9-11-26-51(49)61(52-27-12-10-25-50(52)60)48-23-8-6-19-46(48)55-47(22-15-28-53(55)61)59-63-57(41-34-30-39(31-35-41)38-16-4-3-5-17-38)62-58(64-59)42-36-32-40(33-37-42)43-20-14-21-45-44-18-7-13-29-54(44)65-56(43)45;1-60(2)49-28-11-13-30-51(49)61(52-31-14-12-29-50(52)60)48-27-10-8-23-46(48)55-47(26-17-32-53(55)61)59-63-57(62-58(64-59)45-22-7-6-20-41(45)38-18-4-3-5-19-38)40-36-34-39(35-37-40)42-24-16-25-44-43-21-9-15-33-54(43)65-56(42)44/h1-38H;2*3-37H,1-2H3.

What are the key properties of 2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(4-phenylphenyl)-1,3,5-triazine;4'-[4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(4-phenylphenyl)-1,3,5-triazine;4'-[4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] has a molecular weight of 2591.28 g/mol, XLogP of 47.50, 15 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-6-(4-phenylphenyl)-1,3,5-triazine;4'-[4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] is sourced from PubChem (CID 167545940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).