16-carbazol-9-yl-13,19-diazanonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7,9,11,14,16,18(31),20,22,24,26(32),27,29-pentadecaene

C43H25N3 — CID 162774138

IUPAC16-carbazol-9-yl-13,19-diazanonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7,9,11,14,16,18(31),20,22,24,26(32),27,29-pentadecaene
SMILESc1ccc2c(c1)c1ccccc1n2-c1cc2c3c(c1)-n1c4ccccc4c4cccc(c41)C3c1cccc3c4ccccc4n-2c13
InChIInChI=1S/C43H25N3/c1-5-19-34-26(11-1)27-12-2-6-20-35(27)44(34)25-23-38-41-39(24-25)46-37-22-8-4-14-29(37)31-16-10-18-33(43(31)46)40(41)32-17-9-15-30-28-13-3-7-21-36(28)45(38)42(30)32/h1-24,40H
InChIKeyHLPPKENYVDZZMB-UHFFFAOYSA-N
MW583.69 g/mol
LogP10.78
Rot. Bonds1

About 16-carbazol-9-yl-13,19-diazanonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7,9,11,14,16,18(31),20,22,24,26(32),27,29-pentadecaene

16-carbazol-9-yl-13,19-diazanonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7,9,11,14,16,18(31),20,22,24,26(32),27,29-pentadecaene (PubChem CID 162774138) has the molecular formula C43H25N3 and a molecular weight of 583.69 g/mol. Its IUPAC name is 16-carbazol-9-yl-13,19-diazanonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7,9,11,14,16,18(31),20,22,24,26(32),27,29-pentadecaene.

Molecular Properties

Compound Name16-carbazol-9-yl-13,19-diazanonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7,9,11,14,16,18(31),20,22,24,26(32),27,29-pentadecaene
PubChem CID162774138
Molecular FormulaC43H25N3
Molecular Weight583.69 g/mol
Exact Mass583.20
IUPAC Name16-carbazol-9-yl-13,19-diazanonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7,9,11,14,16,18(31),20,22,24,26(32),27,29-pentadecaene
SMILESc1ccc2c(c1)c1ccccc1n2-c1cc2c3c(c1)-n1c4ccccc4c4cccc(c41)C3c1cccc3c4ccccc4n-2c13
InChIInChI=1S/C43H25N3/c1-5-19-34-26(11-1)27-12-2-6-20-35(27)44(34)25-23-38-41-39(24-25)46-37-22-8-4-14-29(37)31-16-10-18-33(43(31)46)40(41)32-17-9-15-30-28-13-3-7-21-36(28)45(38)42(30)32/h1-24,40H
InChIKeyHLPPKENYVDZZMB-UHFFFAOYSA-N
XLogP10.78
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.69
LogP ≤ 510.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 16-carbazol-9-yl-13,19-diazanonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7,9,11,14,16,18(31),20,22,24,26(32),27,29-pentadecaene with MolForge

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Related Compounds

9-[3-carbazol-9-yl-5-(9H-fluoren-9-yl)phenyl]carbazole
CID 58435369
28-carbazol-9-yl-25,31-diaza-1-boratridecacyclo[28.24.1.12,6.131,50.07,12.013,18.019,24.026,55.032,37.038,43.044,49.025,57.054,56]heptapentaconta-2(57),3,5,7,9,11,13,15,17,19,21,23,26,28,30(55),32,34,36,38,40,42,44,46,48,50,52,54(56)-heptacosaene
CID 172522305
9-[3,5-di(carbazol-9-yl)phenyl]carbazole;molecular hydrogen
CID 160506495
9-(3-carbazol-9-ylphenyl)carbazole;methane
CID 157215827
8,14-bis[2-(3,5-ditert-butylphenyl)phenyl]-5,17-bis(1-phenylcarbazol-9-yl)-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 177115209
6-carbazol-9-yl-23-azatridecacyclo[26.6.6.611,18.14,23.02,27.03,24.09,22.010,19.012,17.029,34.035,40.08,41.042,47]heptatetraconta-2(27),3(24),4(41),5,7,9(22),10(19),12,14,16,20,25,29,31,33,35,37,39,42,44,46-henicosaene-20,26-dicarbonitrile
CID 164528834
4-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 134352687
9-[3-[3,5-bis[3,5-di(carbazol-9-yl)phenyl]phenyl]-5-carbazol-9-ylphenyl]carbazole
CID 102341656
11,12-bis(4-carbazol-9-ylphenyl)indolo[2,3-a]carbazole
CID 70938031
5-[3-[11-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-12-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917462
9-[3,5-di(carbazol-9-yl)phenyl]carbazole;methane;tritiomethylphosphane
CID 158760792
4-(3-carbazol-9-ylcarbazol-9-yl)-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 118422803

Frequently Asked Questions

What is the IUPAC name of 16-carbazol-9-yl-13,19-diazanonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7,9,11,14,16,18(31),20,22,24,26(32),27,29-pentadecaene?
The IUPAC name of 16-carbazol-9-yl-13,19-diazanonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7,9,11,14,16,18(31),20,22,24,26(32),27,29-pentadecaene (CID 162774138) is 16-carbazol-9-yl-13,19-diazanonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7,9,11,14,16,18(31),20,22,24,26(32),27,29-pentadecaene.
What is the SMILES notation for 16-carbazol-9-yl-13,19-diazanonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7,9,11,14,16,18(31),20,22,24,26(32),27,29-pentadecaene?
The canonical SMILES for 16-carbazol-9-yl-13,19-diazanonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7,9,11,14,16,18(31),20,22,24,26(32),27,29-pentadecaene is c1ccc2c(c1)c1ccccc1n2-c1cc2c3c(c1)-n1c4ccccc4c4cccc(c41)C3c1cccc3c4ccccc4n-2c13.
What is the InChIKey of 16-carbazol-9-yl-13,19-diazanonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7,9,11,14,16,18(31),20,22,24,26(32),27,29-pentadecaene?
The InChIKey is HLPPKENYVDZZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N3/c1-5-19-34-26(11-1)27-12-2-6-20-35(27)44(34)25-23-38-41-39(24-25)46-37-22-8-4-14-29(37)31-16-10-18-33(43(31)46)40(41)32-17-9-15-30-28-13-3-7-21-36(28)45(38)42(30)32/h1-24,40H.
What are the key properties of 16-carbazol-9-yl-13,19-diazanonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7,9,11,14,16,18(31),20,22,24,26(32),27,29-pentadecaene?
16-carbazol-9-yl-13,19-diazanonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7,9,11,14,16,18(31),20,22,24,26(32),27,29-pentadecaene has a molecular weight of 583.69 g/mol, XLogP of 10.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-carbazol-9-yl-13,19-diazanonacyclo[16.12.1.12,6.119,26.07,12.014,31.020,25.013,33.030,32]tritriaconta-2,4,6(33),7,9,11,14,16,18(31),20,22,24,26(32),27,29-pentadecaene is sourced from PubChem (CID 162774138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).