17-[4-(9,9-dimethylfluoren-1-yl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-26-oxa-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene

C60H38N4O — CID 169058264

IUPAC17-[4-(9,9-dimethylfluoren-1-yl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-26-oxa-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene
SMILESCC1(C)c2ccccc2-c2cccc(-c3nc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)nc(-c4ccc5c6ccc7oc8cccc9c%10ccccc%10n(c5c4)c6c7c89)n3)c21
InChIInChI=1S/C60H38N4O/c1-60(2)48-22-8-6-17-41(48)45-20-11-21-47(55(45)60)59-62-57(39-16-10-15-38(33-39)37-27-25-36(26-28-37)35-13-4-3-5-14-35)61-58(63-59)40-29-30-43-46-31-32-52-54-53-44(19-12-24-51(53)65-52)42-18-7-9-23-49(42)64(56(46)54)50(43)34-40/h3-34H,1-2H3
InChIKeyPXGGQJIQGCHZLV-UHFFFAOYSA-N
MW830.99 g/mol
LogP15.56
Rot. Bonds5

About 17-[4-(9,9-dimethylfluoren-1-yl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-26-oxa-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene

17-[4-(9,9-dimethylfluoren-1-yl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-26-oxa-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene (PubChem CID 169058264) has the molecular formula C60H38N4O and a molecular weight of 830.99 g/mol. Its IUPAC name is 17-[4-(9,9-dimethylfluoren-1-yl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-26-oxa-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene.

Molecular Properties

Compound Name17-[4-(9,9-dimethylfluoren-1-yl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-26-oxa-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene
PubChem CID169058264
Molecular FormulaC60H38N4O
Molecular Weight830.99 g/mol
Exact Mass830.30
IUPAC Name17-[4-(9,9-dimethylfluoren-1-yl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-26-oxa-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene
SMILESCC1(C)c2ccccc2-c2cccc(-c3nc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)nc(-c4ccc5c6ccc7oc8cccc9c%10ccccc%10n(c5c4)c6c7c89)n3)c21
InChIInChI=1S/C60H38N4O/c1-60(2)48-22-8-6-17-41(48)45-20-11-21-47(55(45)60)59-62-57(39-16-10-15-38(33-39)37-27-25-36(26-28-37)35-13-4-3-5-14-35)61-58(63-59)40-29-30-43-46-31-32-52-54-53-44(19-12-24-51(53)65-52)42-18-7-9-23-49(42)64(56(46)54)50(43)34-40/h3-34H,1-2H3
InChIKeyPXGGQJIQGCHZLV-UHFFFAOYSA-N
XLogP15.56
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.99
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 17-[4-(9,9-dimethylfluoren-1-yl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-26-oxa-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene with MolForge

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Related Compounds

12-[3-[4-[4-(9,9-dimethylfluoren-3-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-26-oxa-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene
CID 169058170
2-(9,9-dimethylfluoren-1-yl)-4-(9-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170681149
2-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153369077
2-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 153369552
12,12-dimethyl-11-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-a]carbazole
CID 155159700
2-(9,9-dimethylfluoren-1-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170680820
2-(9,9-dimethylfluoren-1-yl)-4-(9,9-dimethylfluoren-3-yl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681235
2-(9,9-dimethylfluoren-1-yl)-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2-[4-(4-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 163816860
11-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 169014731
2-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 166002481
2-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166003177
17-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
CID 164757236

Frequently Asked Questions

What is the IUPAC name of 17-[4-(9,9-dimethylfluoren-1-yl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-26-oxa-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene?
The IUPAC name of 17-[4-(9,9-dimethylfluoren-1-yl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-26-oxa-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene (CID 169058264) is 17-[4-(9,9-dimethylfluoren-1-yl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-26-oxa-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene.
What is the SMILES notation for 17-[4-(9,9-dimethylfluoren-1-yl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-26-oxa-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene?
The canonical SMILES for 17-[4-(9,9-dimethylfluoren-1-yl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-26-oxa-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene is CC1(C)c2ccccc2-c2cccc(-c3nc(-c4cccc(-c5ccc(-c6ccccc6)cc5)c4)nc(-c4ccc5c6ccc7oc8cccc9c%10ccccc%10n(c5c4)c6c7c89)n3)c21.
What is the InChIKey of 17-[4-(9,9-dimethylfluoren-1-yl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-26-oxa-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene?
The InChIKey is PXGGQJIQGCHZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N4O/c1-60(2)48-22-8-6-17-41(48)45-20-11-21-47(55(45)60)59-62-57(39-16-10-15-38(33-39)37-27-25-36(26-28-37)35-13-4-3-5-14-35)61-58(63-59)40-29-30-43-46-31-32-52-54-53-44(19-12-24-51(53)65-52)42-18-7-9-23-49(42)64(56(46)54)50(43)34-40/h3-34H,1-2H3.
What are the key properties of 17-[4-(9,9-dimethylfluoren-1-yl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-26-oxa-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene?
17-[4-(9,9-dimethylfluoren-1-yl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-26-oxa-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene has a molecular weight of 830.99 g/mol, XLogP of 15.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 17-[4-(9,9-dimethylfluoren-1-yl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-26-oxa-14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15(20),16,18,21(25),22-dodecaene is sourced from PubChem (CID 169058264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).