21-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8,32,32-tetramethyl-15,25-diazanonacyclo[16.14.1.13,7.02,16.09,14.019,24.025,33.026,31.015,34]tetratriaconta-1(33),2(16),3(34),4,6,9,11,13,17,19(24),20,22,26,28,30-pentadecaene

C63H44N6 — CID 71241697

IUPAC21-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8,32,32-tetramethyl-15,25-diazanonacyclo[16.14.1.13,7.02,16.09,14.019,24.025,33.026,31.015,34]tetratriaconta-1(33),2(16),3(34),4,6,9,11,13,17,19(24),20,22,26,28,30-pentadecaene
SMILESCC1(C)c2ccccc2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc4c(c1c32)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc2c1n4-c1ccccc1C2(C)C
InChIInChI=1S/C63H44N6/c1-62(2)46-25-13-17-29-52(46)69-54-36-44-43-35-40(67-49-27-15-11-23-41(49)42-24-12-16-28-50(42)67)31-32-51(43)68-53-30-18-14-26-47(53)63(3,4)56(58(44)68)55(54)45-33-39(34-48(62)57(45)69)61-65-59(37-19-7-5-8-20-37)64-60(66-61)38-21-9-6-10-22-38/h5-36H,1-4H3
InChIKeyVAHZKXPHWJIXMI-UHFFFAOYSA-N
MW885.09 g/mol
LogP15.44
Rot. Bonds4

About 21-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8,32,32-tetramethyl-15,25-diazanonacyclo[16.14.1.13,7.02,16.09,14.019,24.025,33.026,31.015,34]tetratriaconta-1(33),2(16),3(34),4,6,9,11,13,17,19(24),20,22,26,28,30-pentadecaene

21-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8,32,32-tetramethyl-15,25-diazanonacyclo[16.14.1.13,7.02,16.09,14.019,24.025,33.026,31.015,34]tetratriaconta-1(33),2(16),3(34),4,6,9,11,13,17,19(24),20,22,26,28,30-pentadecaene (PubChem CID 71241697) has the molecular formula C63H44N6 and a molecular weight of 885.09 g/mol. Its IUPAC name is 21-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8,32,32-tetramethyl-15,25-diazanonacyclo[16.14.1.13,7.02,16.09,14.019,24.025,33.026,31.015,34]tetratriaconta-1(33),2(16),3(34),4,6,9,11,13,17,19(24),20,22,26,28,30-pentadecaene.

Molecular Properties

Compound Name21-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8,32,32-tetramethyl-15,25-diazanonacyclo[16.14.1.13,7.02,16.09,14.019,24.025,33.026,31.015,34]tetratriaconta-1(33),2(16),3(34),4,6,9,11,13,17,19(24),20,22,26,28,30-pentadecaene
PubChem CID71241697
Molecular FormulaC63H44N6
Molecular Weight885.09 g/mol
Exact Mass884.36
IUPAC Name21-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8,32,32-tetramethyl-15,25-diazanonacyclo[16.14.1.13,7.02,16.09,14.019,24.025,33.026,31.015,34]tetratriaconta-1(33),2(16),3(34),4,6,9,11,13,17,19(24),20,22,26,28,30-pentadecaene
SMILESCC1(C)c2ccccc2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc4c(c1c32)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc2c1n4-c1ccccc1C2(C)C
InChIInChI=1S/C63H44N6/c1-62(2)46-25-13-17-29-52(46)69-54-36-44-43-35-40(67-49-27-15-11-23-41(49)42-24-12-16-28-50(42)67)31-32-51(43)68-53-30-18-14-26-47(53)63(3,4)56(58(44)68)55(54)45-33-39(34-48(62)57(45)69)61-65-59(37-19-7-5-8-20-37)64-60(66-61)38-21-9-6-10-22-38/h5-36H,1-4H3
InChIKeyVAHZKXPHWJIXMI-UHFFFAOYSA-N
XLogP15.44
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.09
LogP ≤ 515.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 21-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8,32,32-tetramethyl-15,25-diazanonacyclo[16.14.1.13,7.02,16.09,14.019,24.025,33.026,31.015,34]tetratriaconta-1(33),2(16),3(34),4,6,9,11,13,17,19(24),20,22,26,28,30-pentadecaene with MolForge

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Related Compounds

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 88855533
5-[4,6-bis(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;5-[4,6-bis(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;8,8,14,14-tetramethyl-5-[4-phenyl-6-(8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-1,3,5-triazin-2-yl]-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 158216834
10-[4-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 123456756
13,13-dimethyl-10-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 123975010
5-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;16-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene;5-[4-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-[4-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 158506811
5-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;10-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene;5-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;10-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;5-[3-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 157327950
10-[3-[4-[3-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 170682872
5-carbazol-9-yl-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 67325809
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)acridine
CID 118528312
5-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-13,13-dimethyl-10,16-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene;5-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;5-[3-[4-[4-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 161050587
10-[9-[3-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9,9-dimethylacridine
CID 168836599
10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 118507775

Frequently Asked Questions

What is the IUPAC name of 21-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8,32,32-tetramethyl-15,25-diazanonacyclo[16.14.1.13,7.02,16.09,14.019,24.025,33.026,31.015,34]tetratriaconta-1(33),2(16),3(34),4,6,9,11,13,17,19(24),20,22,26,28,30-pentadecaene?
The IUPAC name of 21-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8,32,32-tetramethyl-15,25-diazanonacyclo[16.14.1.13,7.02,16.09,14.019,24.025,33.026,31.015,34]tetratriaconta-1(33),2(16),3(34),4,6,9,11,13,17,19(24),20,22,26,28,30-pentadecaene (CID 71241697) is 21-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8,32,32-tetramethyl-15,25-diazanonacyclo[16.14.1.13,7.02,16.09,14.019,24.025,33.026,31.015,34]tetratriaconta-1(33),2(16),3(34),4,6,9,11,13,17,19(24),20,22,26,28,30-pentadecaene.
What is the SMILES notation for 21-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8,32,32-tetramethyl-15,25-diazanonacyclo[16.14.1.13,7.02,16.09,14.019,24.025,33.026,31.015,34]tetratriaconta-1(33),2(16),3(34),4,6,9,11,13,17,19(24),20,22,26,28,30-pentadecaene?
The canonical SMILES for 21-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8,32,32-tetramethyl-15,25-diazanonacyclo[16.14.1.13,7.02,16.09,14.019,24.025,33.026,31.015,34]tetratriaconta-1(33),2(16),3(34),4,6,9,11,13,17,19(24),20,22,26,28,30-pentadecaene is CC1(C)c2ccccc2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc4c(c1c32)c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc2c1n4-c1ccccc1C2(C)C.
What is the InChIKey of 21-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8,32,32-tetramethyl-15,25-diazanonacyclo[16.14.1.13,7.02,16.09,14.019,24.025,33.026,31.015,34]tetratriaconta-1(33),2(16),3(34),4,6,9,11,13,17,19(24),20,22,26,28,30-pentadecaene?
The InChIKey is VAHZKXPHWJIXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44N6/c1-62(2)46-25-13-17-29-52(46)69-54-36-44-43-35-40(67-49-27-15-11-23-41(49)42-24-12-16-28-50(42)67)31-32-51(43)68-53-30-18-14-26-47(53)63(3,4)56(58(44)68)55(54)45-33-39(34-48(62)57(45)69)61-65-59(37-19-7-5-8-20-37)64-60(66-61)38-21-9-6-10-22-38/h5-36H,1-4H3.
What are the key properties of 21-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8,32,32-tetramethyl-15,25-diazanonacyclo[16.14.1.13,7.02,16.09,14.019,24.025,33.026,31.015,34]tetratriaconta-1(33),2(16),3(34),4,6,9,11,13,17,19(24),20,22,26,28,30-pentadecaene?
21-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8,32,32-tetramethyl-15,25-diazanonacyclo[16.14.1.13,7.02,16.09,14.019,24.025,33.026,31.015,34]tetratriaconta-1(33),2(16),3(34),4,6,9,11,13,17,19(24),20,22,26,28,30-pentadecaene has a molecular weight of 885.09 g/mol, XLogP of 15.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 21-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,8,32,32-tetramethyl-15,25-diazanonacyclo[16.14.1.13,7.02,16.09,14.019,24.025,33.026,31.015,34]tetratriaconta-1(33),2(16),3(34),4,6,9,11,13,17,19(24),20,22,26,28,30-pentadecaene is sourced from PubChem (CID 71241697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).