25-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3'-[3-[4-(4-phenylphenyl)-6-(3-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]

C118H70N8O2 — CID 147000481

IUPAC25-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3'-[3-[4-(4-phenylphenyl)-6-(3-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6Oc6c5ccc5c7c8ccccc8ccc7n(-c7nc(-c8ccccc8)nc(-c8ccc(-c9ccccc9)cc8)n7)c65)c4)nc(-c4cccc(-n5c6ccc7ccccc7c6c6ccc7c(c65)Oc5ccccc5C75c6ccccc6-c6ccccc65)c4)n3)cc2)cc1
InChIInChI=1S/C118H70N8O2/c1-4-26-71(27-5-1)73-50-54-78(55-51-73)111-119-114(122-115(120-111)83-36-25-37-84(69-83)125-101-66-59-75-30-10-12-38-85(75)105(101)90-61-64-99-109(107(90)125)127-103-48-22-20-46-97(103)117(99)93-43-17-14-40-87(93)88-41-15-18-44-94(88)117)82-35-24-34-80(68-82)81-58-63-96-92(70-81)89-42-16-19-45-95(89)118(96)98-47-21-23-49-104(98)128-110-100(118)65-62-91-106-86-39-13-11-31-76(86)60-67-102(106)126(108(91)110)116-123-112(77-32-8-3-9-33-77)121-113(124-116)79-56-52-74(53-57-79)72-28-6-2-7-29-72/h1-70H
InChIKeyARYAWFFRRHIXJY-UHFFFAOYSA-N
MW1631.91 g/mol
LogP28.83
Rot. Bonds10

About 25-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3'-[3-[4-(4-phenylphenyl)-6-(3-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]

25-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3'-[3-[4-(4-phenylphenyl)-6-(3-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene] (PubChem CID 147000481) has the molecular formula C118H70N8O2 and a molecular weight of 1631.91 g/mol. Its IUPAC name is 25-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3'-[3-[4-(4-phenylphenyl)-6-(3-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene].

Molecular Properties

Compound Name25-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3'-[3-[4-(4-phenylphenyl)-6-(3-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]
PubChem CID147000481
Molecular FormulaC118H70N8O2
Molecular Weight1631.91 g/mol
Exact Mass1630.56
IUPAC Name25-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3'-[3-[4-(4-phenylphenyl)-6-(3-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6Oc6c5ccc5c7c8ccccc8ccc7n(-c7nc(-c8ccccc8)nc(-c8ccc(-c9ccccc9)cc8)n7)c65)c4)nc(-c4cccc(-n5c6ccc7ccccc7c6c6ccc7c(c65)Oc5ccccc5C75c6ccccc6-c6ccccc65)c4)n3)cc2)cc1
InChIInChI=1S/C118H70N8O2/c1-4-26-71(27-5-1)73-50-54-78(55-51-73)111-119-114(122-115(120-111)83-36-25-37-84(69-83)125-101-66-59-75-30-10-12-38-85(75)105(101)90-61-64-99-109(107(90)125)127-103-48-22-20-46-97(103)117(99)93-43-17-14-40-87(93)88-41-15-18-44-94(88)117)82-35-24-34-80(68-82)81-58-63-96-92(70-81)89-42-16-19-45-95(89)118(96)98-47-21-23-49-104(98)128-110-100(118)65-62-91-106-86-39-13-11-31-76(86)60-67-102(106)126(108(91)110)116-123-112(77-32-8-3-9-33-77)121-113(124-116)79-56-52-74(53-57-79)72-28-6-2-7-29-72/h1-70H
InChIKeyARYAWFFRRHIXJY-UHFFFAOYSA-N
XLogP28.83
TPSA105.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001631.91
LogP ≤ 528.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 25-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3'-[3-[4-(4-phenylphenyl)-6-(3-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 25-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3'-[3-[4-(4-phenylphenyl)-6-(3-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]?
The IUPAC name of 25-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3'-[3-[4-(4-phenylphenyl)-6-(3-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene] (CID 147000481) is 25-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3'-[3-[4-(4-phenylphenyl)-6-(3-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene].
What is the SMILES notation for 25-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3'-[3-[4-(4-phenylphenyl)-6-(3-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]?
The canonical SMILES for 25-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3'-[3-[4-(4-phenylphenyl)-6-(3-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene] is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6Oc6c5ccc5c7c8ccccc8ccc7n(-c7nc(-c8ccccc8)nc(-c8ccc(-c9ccccc9)cc8)n7)c65)c4)nc(-c4cccc(-n5c6ccc7ccccc7c6c6ccc7c(c65)Oc5ccccc5C75c6ccccc6-c6ccccc65)c4)n3)cc2)cc1.
What is the InChIKey of 25-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3'-[3-[4-(4-phenylphenyl)-6-(3-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]?
The InChIKey is ARYAWFFRRHIXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C118H70N8O2/c1-4-26-71(27-5-1)73-50-54-78(55-51-73)111-119-114(122-115(120-111)83-36-25-37-84(69-83)125-101-66-59-75-30-10-12-38-85(75)105(101)90-61-64-99-109(107(90)125)127-103-48-22-20-46-97(103)117(99)93-43-17-14-40-87(93)88-41-15-18-44-94(88)117)82-35-24-34-80(68-82)81-58-63-96-92(70-81)89-42-16-19-45-95(89)118(96)98-47-21-23-49-104(98)128-110-100(118)65-62-91-106-86-39-13-11-31-76(86)60-67-102(106)126(108(91)110)116-123-112(77-32-8-3-9-33-77)121-113(124-116)79-56-52-74(53-57-79)72-28-6-2-7-29-72/h1-70H.
What are the key properties of 25-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3'-[3-[4-(4-phenylphenyl)-6-(3-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]?
25-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3'-[3-[4-(4-phenylphenyl)-6-(3-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene] has a molecular weight of 1631.91 g/mol, XLogP of 28.83, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 25-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3'-[3-[4-(4-phenylphenyl)-6-(3-spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene]-25-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[3-oxa-25-azahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-1(14),2(11),4,6,8,12,15(24),16,18,20,22-undecaene-10,9'-fluorene] is sourced from PubChem (CID 147000481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).