16-carbazol-9-yl-1,13,20-triazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,14(19),15,17,20-decaene

C31H18N4 — CID 155785094

IUPAC16-carbazol-9-yl-1,13,20-triazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,14(19),15,17,20-decaene
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2nc3n(c2c1)c1cccc2c4ccccc4n3c21
InChIInChI=1S/C31H18N4/c1-4-12-25-20(8-1)21-9-2-5-13-26(21)33(25)19-16-17-24-29(18-19)34-28-15-7-11-23-22-10-3-6-14-27(22)35(30(23)28)31(34)32-24/h1-18H
InChIKeyXJTMMJBYVFHGJO-UHFFFAOYSA-N
MW446.51 g/mol
LogP7.58
Rot. Bonds1

About 16-carbazol-9-yl-1,13,20-triazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,14(19),15,17,20-decaene

16-carbazol-9-yl-1,13,20-triazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,14(19),15,17,20-decaene (PubChem CID 155785094) has the molecular formula C31H18N4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 16-carbazol-9-yl-1,13,20-triazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,14(19),15,17,20-decaene.

Molecular Properties

Compound Name16-carbazol-9-yl-1,13,20-triazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,14(19),15,17,20-decaene
PubChem CID155785094
Molecular FormulaC31H18N4
Molecular Weight446.51 g/mol
Exact Mass446.15
IUPAC Name16-carbazol-9-yl-1,13,20-triazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,14(19),15,17,20-decaene
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2nc3n(c2c1)c1cccc2c4ccccc4n3c21
InChIInChI=1S/C31H18N4/c1-4-12-25-20(8-1)21-9-2-5-13-26(21)33(25)19-16-17-24-29(18-19)34-28-15-7-11-23-22-10-3-6-14-27(22)35(30(23)28)31(34)32-24/h1-18H
InChIKeyXJTMMJBYVFHGJO-UHFFFAOYSA-N
XLogP7.58
TPSA26.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 16-carbazol-9-yl-1,13,20-triazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,14(19),15,17,20-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,14,23-tri(carbazol-9-yl)-2,9,11,18,20,27-hexazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(27),3(8),4,6,9,12(17),13,15,18,21(26),22,24-dodecaene
CID 129087599
33-carbazol-9-yl-1,13,20-triazadecacyclo[18.16.2.12,6.07,12.014,19.021,26.027,38.030,37.031,36.013,39]nonatriaconta-2,4,6(39),7,9,11,14,16,18,21,23,25,27(38),28,30(37),31(36),32,34-octadecaene
CID 162480548
4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 122546209
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
2-carbazol-9-yl-6-[2-(2-carbazol-9-ylphenyl)tetraphenylen-1-yl]benzimidazolo[1,2-a]benzimidazole
CID 168811192
24-(4-carbazol-9-ylphenyl)-13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,3,10-triazaheptacyclo[15.10.1.02,10.04,9.011,16.021,28.022,27]octacosa-2,4,6,8,11(16),12,14,17(28),18,20,22(27),23,25-tridecaene
CID 163885630
4-carbazol-9-yl-17-(8-carbazol-9-yldibenzothiophen-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 122546124
24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-20,22,29-triazaoctacyclo[18.13.1.02,7.08,13.014,19.021,29.023,28.030,34]tetratriaconta-1(34),2,4,6,8,10,12,14,16,18,21,23,25,27,30,32-hexadecaene
CID 168811097
10-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,8,11,13,15-heptaene
CID 169077364
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 169077493
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-phenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,21-decaene
CID 129200603
5-[5-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]pyrido[4,3-b]indol-7-yl]benzimidazolo[1,2-a]benzimidazole
CID 169077352

Frequently Asked Questions

What is the IUPAC name of 16-carbazol-9-yl-1,13,20-triazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,14(19),15,17,20-decaene?
The IUPAC name of 16-carbazol-9-yl-1,13,20-triazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,14(19),15,17,20-decaene (CID 155785094) is 16-carbazol-9-yl-1,13,20-triazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,14(19),15,17,20-decaene.
What is the SMILES notation for 16-carbazol-9-yl-1,13,20-triazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,14(19),15,17,20-decaene?
The canonical SMILES for 16-carbazol-9-yl-1,13,20-triazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,14(19),15,17,20-decaene is c1ccc2c(c1)c1ccccc1n2-c1ccc2nc3n(c2c1)c1cccc2c4ccccc4n3c21.
What is the InChIKey of 16-carbazol-9-yl-1,13,20-triazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,14(19),15,17,20-decaene?
The InChIKey is XJTMMJBYVFHGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18N4/c1-4-12-25-20(8-1)21-9-2-5-13-26(21)33(25)19-16-17-24-29(18-19)34-28-15-7-11-23-22-10-3-6-14-27(22)35(30(23)28)31(34)32-24/h1-18H.
What are the key properties of 16-carbazol-9-yl-1,13,20-triazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,14(19),15,17,20-decaene?
16-carbazol-9-yl-1,13,20-triazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,14(19),15,17,20-decaene has a molecular weight of 446.51 g/mol, XLogP of 7.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-carbazol-9-yl-1,13,20-triazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,14(19),15,17,20-decaene is sourced from PubChem (CID 155785094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).