14-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene

C44H26N6 — CID 171748567

IUPAC14-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc5c4c4cccc6c7cccnc7n5c64)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C44H26N6/c1-2-12-27(13-3-1)41-46-42(48-44(47-41)49-36-22-6-4-16-31(36)32-17-5-7-23-37(32)49)29-15-8-14-28(26-29)30-18-10-24-38-39(30)35-20-9-19-33-34-21-11-25-45-43(34)50(38)40(33)35/h1-26H
InChIKeyUKGVTMUKGJQUHD-UHFFFAOYSA-N
MW638.73 g/mol
LogP10.51
Rot. Bonds4

About 14-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene

14-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene (PubChem CID 171748567) has the molecular formula C44H26N6 and a molecular weight of 638.73 g/mol. Its IUPAC name is 14-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene.

Molecular Properties

Compound Name14-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene
PubChem CID171748567
Molecular FormulaC44H26N6
Molecular Weight638.73 g/mol
Exact Mass638.22
IUPAC Name14-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc5c4c4cccc6c7cccnc7n5c64)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C44H26N6/c1-2-12-27(13-3-1)41-46-42(48-44(47-41)49-36-22-6-4-16-31(36)32-17-5-7-23-37(32)49)29-15-8-14-28(26-29)30-18-10-24-38-39(30)35-20-9-19-33-34-21-11-25-45-43(34)50(38)40(33)35/h1-26H
InChIKeyUKGVTMUKGJQUHD-UHFFFAOYSA-N
XLogP10.51
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.73
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 14-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene 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

10-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 171748603
6-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 176879945
16-[2-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
CID 171748625
9-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[2,3-b]indole
CID 70836919
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[3-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]phenyl]phenyl]carbazole
CID 89296040
7-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylpyrido[2,3-b]indole
CID 129221779
1-phenyl-9-[4-phenyl-6-[3-[2-[3-[3-[4-phenyl-6-[1-(4-phenylphenyl)carbazol-9-yl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 137397297
9-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 160515584
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(4-phenylphenyl)-4-[3-[4-[4-phenyl-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]indolo[2,3-a]carbazole
CID 123867254
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole
CID 129221371
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,19-diazaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8,10,12,16,20,22,24,26(30),27-tetradecaene
CID 134437111
9-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3,4,6-tris(pyrido[2,3-b]indol-9-yl)phenyl]pyrido[2,3-b]indole
CID 176634498

Frequently Asked Questions

What is the IUPAC name of 14-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene?
The IUPAC name of 14-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene (CID 171748567) is 14-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene.
What is the SMILES notation for 14-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene?
The canonical SMILES for 14-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene is c1ccc(-c2nc(-c3cccc(-c4cccc5c4c4cccc6c7cccnc7n5c64)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 14-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene?
The InChIKey is UKGVTMUKGJQUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N6/c1-2-12-27(13-3-1)41-46-42(48-44(47-41)49-36-22-6-4-16-31(36)32-17-5-7-23-37(32)49)29-15-8-14-28(26-29)30-18-10-24-38-39(30)35-20-9-19-33-34-21-11-25-45-43(34)50(38)40(33)35/h1-26H.
What are the key properties of 14-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene?
14-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene has a molecular weight of 638.73 g/mol, XLogP of 10.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene is sourced from PubChem (CID 171748567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).