4-(9,9-diphenylfluoren-3-yl)-15,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene

C61H39N3 — CID 176965403

IUPAC4-(9,9-diphenylfluoren-3-yl)-15,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
SMILESc1ccc(-n2c3ccc4c5ccccc5n(-c5ccccc5)c4c3c3c2ccc2c4ccccc4n(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c23)cc1
InChIInChI=1S/C61H39N3/c1-5-19-40(20-6-1)61(41-21-7-2-8-22-41)51-30-16-13-27-45(51)50-39-44(33-36-52(50)61)64-54-32-18-15-29-47(54)49-35-38-56-58(60(49)64)57-55(62(56)42-23-9-3-10-24-42)37-34-48-46-28-14-17-31-53(46)63(59(48)57)43-25-11-4-12-26-43/h1-39H
InChIKeyNTPBUEGCYZSBGT-UHFFFAOYSA-N
MW814.00 g/mol
LogP15.34
Rot. Bonds5

About 4-(9,9-diphenylfluoren-3-yl)-15,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene

4-(9,9-diphenylfluoren-3-yl)-15,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene (PubChem CID 176965403) has the molecular formula C61H39N3 and a molecular weight of 814.00 g/mol. Its IUPAC name is 4-(9,9-diphenylfluoren-3-yl)-15,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene.

Molecular Properties

Compound Name4-(9,9-diphenylfluoren-3-yl)-15,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
PubChem CID176965403
Molecular FormulaC61H39N3
Molecular Weight814.00 g/mol
Exact Mass813.31
IUPAC Name4-(9,9-diphenylfluoren-3-yl)-15,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
SMILESc1ccc(-n2c3ccc4c5ccccc5n(-c5ccccc5)c4c3c3c2ccc2c4ccccc4n(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c23)cc1
InChIInChI=1S/C61H39N3/c1-5-19-40(20-6-1)61(41-21-7-2-8-22-41)51-30-16-13-27-45(51)50-39-44(33-36-52(50)61)64-54-32-18-15-29-47(54)49-35-38-56-58(60(49)64)57-55(62(56)42-23-9-3-10-24-42)37-34-48-46-28-14-17-31-53(46)63(59(48)57)43-25-11-4-12-26-43/h1-39H
InChIKeyNTPBUEGCYZSBGT-UHFFFAOYSA-N
XLogP15.34
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.00
LogP ≤ 515.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(9,9-diphenylfluoren-3-yl)-15,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene with MolForge

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Related Compounds

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9-(4-carbazol-9-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(9-phenylcarbazol-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
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Frequently Asked Questions

What is the IUPAC name of 4-(9,9-diphenylfluoren-3-yl)-15,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene?
The IUPAC name of 4-(9,9-diphenylfluoren-3-yl)-15,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene (CID 176965403) is 4-(9,9-diphenylfluoren-3-yl)-15,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene.
What is the SMILES notation for 4-(9,9-diphenylfluoren-3-yl)-15,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene?
The canonical SMILES for 4-(9,9-diphenylfluoren-3-yl)-15,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene is c1ccc(-n2c3ccc4c5ccccc5n(-c5ccccc5)c4c3c3c2ccc2c4ccccc4n(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c23)cc1.
What is the InChIKey of 4-(9,9-diphenylfluoren-3-yl)-15,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene?
The InChIKey is NTPBUEGCYZSBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39N3/c1-5-19-40(20-6-1)61(41-21-7-2-8-22-41)51-30-16-13-27-45(51)50-39-44(33-36-52(50)61)64-54-32-18-15-29-47(54)49-35-38-56-58(60(49)64)57-55(62(56)42-23-9-3-10-24-42)37-34-48-46-28-14-17-31-53(46)63(59(48)57)43-25-11-4-12-26-43/h1-39H.
What are the key properties of 4-(9,9-diphenylfluoren-3-yl)-15,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene?
4-(9,9-diphenylfluoren-3-yl)-15,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene has a molecular weight of 814.00 g/mol, XLogP of 15.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-diphenylfluoren-3-yl)-15,26-diphenyl-4,15,26-triazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene is sourced from PubChem (CID 176965403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).