15-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-11,11,19,19-tetraethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene

C73H58N4 — CID 87159796

IUPAC15-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-11,11,19,19-tetraethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene
SMILESCCC1(CC)c2ccccc2-c2cc3c4cc5c(cc4n(-c4nc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)nc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)n4)c3cc21)C(CC)(CC)c1ccccc1-5
InChIInChI=1S/C73H58N4/c1-5-72(6-2)63-35-23-21-33-57(63)59-43-61-62-44-60-58-34-22-24-36-64(58)73(7-3,8-4)66(60)46-68(62)77(67(61)45-65(59)72)71-75-69(55-39-51(47-25-13-9-14-26-47)37-52(40-55)48-27-15-10-16-28-48)74-70(76-71)56-41-53(49-29-17-11-18-30-49)38-54(42-56)50-31-19-12-20-32-50/h9-46H,5-8H2,1-4H3
InChIKeyFVJZUYXYLLSHRZ-UHFFFAOYSA-N
MW991.29 g/mol
LogP19.14
Rot. Bonds11

About 15-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-11,11,19,19-tetraethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene

15-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-11,11,19,19-tetraethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene (PubChem CID 87159796) has the molecular formula C73H58N4 and a molecular weight of 991.29 g/mol. Its IUPAC name is 15-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-11,11,19,19-tetraethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene.

Molecular Properties

Compound Name15-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-11,11,19,19-tetraethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene
PubChem CID87159796
Molecular FormulaC73H58N4
Molecular Weight991.29 g/mol
Exact Mass990.47
IUPAC Name15-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-11,11,19,19-tetraethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene
SMILESCCC1(CC)c2ccccc2-c2cc3c4cc5c(cc4n(-c4nc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)nc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)n4)c3cc21)C(CC)(CC)c1ccccc1-5
InChIInChI=1S/C73H58N4/c1-5-72(6-2)63-35-23-21-33-57(63)59-43-61-62-44-60-58-34-22-24-36-64(58)73(7-3,8-4)66(60)46-68(62)77(67(61)45-65(59)72)71-75-69(55-39-51(47-25-13-9-14-26-47)37-52(40-55)48-27-15-10-16-28-48)74-70(76-71)56-41-53(49-29-17-11-18-30-49)38-54(42-56)50-31-19-12-20-32-50/h9-46H,5-8H2,1-4H3
InChIKeyFVJZUYXYLLSHRZ-UHFFFAOYSA-N
XLogP19.14
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.29
LogP ≤ 519.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 15-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-11,11,19,19-tetraethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene with MolForge

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Related Compounds

5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 159343293
5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;methane
CID 160846132
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 87159836
5-[3-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014140
5'-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 162362854
5-[4-dibenzothiophen-1-yl-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 130327255
5-[3-carbazol-9-yl-5-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146535003
2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66804832
5-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 165154807
7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 130209432
5-[2-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014487
2-(9,9-diethylfluoren-2-yl)-4,6-diphenylpyridine
CID 102582737

Frequently Asked Questions

What is the IUPAC name of 15-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-11,11,19,19-tetraethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene?
The IUPAC name of 15-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-11,11,19,19-tetraethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene (CID 87159796) is 15-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-11,11,19,19-tetraethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene.
What is the SMILES notation for 15-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-11,11,19,19-tetraethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene?
The canonical SMILES for 15-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-11,11,19,19-tetraethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene is CCC1(CC)c2ccccc2-c2cc3c4cc5c(cc4n(-c4nc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)nc(-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)n4)c3cc21)C(CC)(CC)c1ccccc1-5.
What is the InChIKey of 15-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-11,11,19,19-tetraethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene?
The InChIKey is FVJZUYXYLLSHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H58N4/c1-5-72(6-2)63-35-23-21-33-57(63)59-43-61-62-44-60-58-34-22-24-36-64(58)73(7-3,8-4)66(60)46-68(62)77(67(61)45-65(59)72)71-75-69(55-39-51(47-25-13-9-14-26-47)37-52(40-55)48-27-15-10-16-28-48)74-70(76-71)56-41-53(49-29-17-11-18-30-49)38-54(42-56)50-31-19-12-20-32-50/h9-46H,5-8H2,1-4H3.
What are the key properties of 15-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-11,11,19,19-tetraethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene?
15-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-11,11,19,19-tetraethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene has a molecular weight of 991.29 g/mol, XLogP of 19.14, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-11,11,19,19-tetraethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene is sourced from PubChem (CID 87159796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).