25-dibenzothiophen-3-yl-4'-[4-[4-(4-phenylphenyl)-6-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-yl-1,3,5-triazin-2-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]

C103H59N5O2S — CID 152846717

About 25-dibenzothiophen-3-yl-4'-[4-[4-(4-phenylphenyl)-6-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-yl-1,3,5-triazin-2-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]

25-dibenzothiophen-3-yl-4'-[4-[4-(4-phenylphenyl)-6-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-yl-1,3,5-triazin-2-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene] (PubChem CID 152846717) has the molecular formula C103H59N5O2S and a molecular weight of 1430.70 g/mol. Its IUPAC name is 25-dibenzothiophen-3-yl-4'-[4-[4-(4-phenylphenyl)-6-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-yl-1,3,5-triazin-2-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene].

Molecular Properties

• Compound Name: 25-dibenzothiophen-3-yl-4'-[4-[4-(4-phenylphenyl)-6-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-yl-1,3,5-triazin-2-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]
• PubChem CID: 152846717
• Molecular Formula: C103H59N5O2S
• Molecular Weight: 1430.70 g/mol
• Exact Mass: 1429.44
• IUPAC Name: 25-dibenzothiophen-3-yl-4'-[4-[4-(4-phenylphenyl)-6-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-yl-1,3,5-triazin-2-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6cc7c(cc65)c5c6ccccc6ccc5n7-c5ccc6c(c5)sc5ccccc56)cc4)nc(-n4c5cc6c(cc5c5c7ccccc7ccc54)C4(c5ccccc5O6)c5ccccc5-c5ccccc54)n3)cc2)cc1
• InChI: InChI=1S/C103H59N5O2S/c1-2-21-60(22-3-1)61-41-45-65(46-42-61)99-104-100(106-101(105-99)108-87-54-50-63-24-5-7-26-70(63)98(87)77-57-84-93(59-89(77)108)109-90-38-17-15-35-81(90)102(84)78-32-12-8-27-71(78)72-28-9-13-33-79(72)102)66-47-43-64(44-48-66)68-31-20-37-83-96(68)75-30-10-14-34-80(75)103(83)82-36-16-18-39-91(82)110-92-58-88-76(56-85(92)103)97-69-25-6-4-23-62(69)49-53-86(97)107(88)67-51-52-74-73-29-11-19-40-94(73)111-95(74)55-67/h1-59H
• InChIKey: TUHBQGLQHAWAQL-UHFFFAOYSA-N
• XLogP: 26.35
• TPSA: 66.99 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1430.70
LogP ≤ 5	26.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 25-dibenzothiophen-3-yl-4'-[4-[4-(4-phenylphenyl)-6-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-yl-1,3,5-triazin-2-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]?

The IUPAC name of 25-dibenzothiophen-3-yl-4'-[4-[4-(4-phenylphenyl)-6-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-yl-1,3,5-triazin-2-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene] (CID 152846717) is 25-dibenzothiophen-3-yl-4'-[4-[4-(4-phenylphenyl)-6-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-yl-1,3,5-triazin-2-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene].

What is the SMILES notation for 25-dibenzothiophen-3-yl-4'-[4-[4-(4-phenylphenyl)-6-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-yl-1,3,5-triazin-2-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]?

The canonical SMILES for 25-dibenzothiophen-3-yl-4'-[4-[4-(4-phenylphenyl)-6-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-yl-1,3,5-triazin-2-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene] is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6cc7c(cc65)c5c6ccccc6ccc5n7-c5ccc6c(c5)sc5ccccc56)cc4)nc(-n4c5cc6c(cc5c5c7ccccc7ccc54)C4(c5ccccc5O6)c5ccccc5-c5ccccc54)n3)cc2)cc1.

What is the InChIKey of 25-dibenzothiophen-3-yl-4'-[4-[4-(4-phenylphenyl)-6-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-yl-1,3,5-triazin-2-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]?

The InChIKey is TUHBQGLQHAWAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C103H59N5O2S/c1-2-21-60(22-3-1)61-41-45-65(46-42-61)99-104-100(106-101(105-99)108-87-54-50-63-24-5-7-26-70(63)98(87)77-57-84-93(59-89(77)108)109-90-38-17-15-35-81(90)102(84)78-32-12-8-27-71(78)72-28-9-13-33-79(72)102)66-47-43-64(44-48-66)68-31-20-37-83-96(68)75-30-10-14-34-80(75)103(83)82-36-16-18-39-91(82)110-92-58-88-76(56-85(92)103)97-69-25-6-4-23-62(69)49-53-86(97)107(88)67-51-52-74-73-29-11-19-40-94(73)111-95(74)55-67/h1-59H.

What are the key properties of 25-dibenzothiophen-3-yl-4'-[4-[4-(4-phenylphenyl)-6-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-yl-1,3,5-triazin-2-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]?

25-dibenzothiophen-3-yl-4'-[4-[4-(4-phenylphenyl)-6-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-yl-1,3,5-triazin-2-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene] has a molecular weight of 1430.70 g/mol, XLogP of 26.35, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 25-dibenzothiophen-3-yl-4'-[4-[4-(4-phenylphenyl)-6-spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]-25-yl-1,3,5-triazin-2-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene] is sourced from PubChem (CID 152846717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).