3-[9-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-1,2-dihydropyridin-3-yl]carbazol-3-yl]-9-[6-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-3-pyridinyl]carbazole

C64H50N10 — CID 137123829

IUPAC3-[9-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-1,2-dihydropyridin-3-yl]carbazol-3-yl]-9-[6-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-3-pyridinyl]carbazole
SMILESC1=C(C2NC(c3ccccc3)=NC(c3ccccc3)N2)NCC(n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(C5N=C(c6ccccc6)NC(c6ccccc6)N5)nc4)ccc32)=C1
InChIInChI=1S/C64H50N10/c1-5-17-41(18-6-1)59-67-60(42-19-7-2-8-20-42)70-63(69-59)53-33-31-47(39-65-53)73-55-27-15-13-25-49(55)51-37-45(29-35-57(51)73)46-30-36-58-52(38-46)50-26-14-16-28-56(50)74(58)48-32-34-54(66-40-48)64-71-61(43-21-9-3-10-22-43)68-62(72-64)44-23-11-4-12-24-44/h1-39,59,61,63-64,66,69,71H,40H2,(H,67,70)(H,68,72)
InChIKeyKAPJUAQLZSORNG-UHFFFAOYSA-N
MW959.17 g/mol
LogP12.28
Rot. Bonds9

About 3-[9-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-1,2-dihydropyridin-3-yl]carbazol-3-yl]-9-[6-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-3-pyridinyl]carbazole

3-[9-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-1,2-dihydropyridin-3-yl]carbazol-3-yl]-9-[6-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-3-pyridinyl]carbazole (PubChem CID 137123829) has the molecular formula C64H50N10 and a molecular weight of 959.17 g/mol. Its IUPAC name is 3-[9-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-1,2-dihydropyridin-3-yl]carbazol-3-yl]-9-[6-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-3-pyridinyl]carbazole.

Molecular Properties

Compound Name3-[9-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-1,2-dihydropyridin-3-yl]carbazol-3-yl]-9-[6-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-3-pyridinyl]carbazole
PubChem CID137123829
Molecular FormulaC64H50N10
Molecular Weight959.17 g/mol
Exact Mass958.42
IUPAC Name3-[9-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-1,2-dihydropyridin-3-yl]carbazol-3-yl]-9-[6-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-3-pyridinyl]carbazole
SMILESC1=C(C2NC(c3ccccc3)=NC(c3ccccc3)N2)NCC(n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(C5N=C(c6ccccc6)NC(c6ccccc6)N5)nc4)ccc32)=C1
InChIInChI=1S/C64H50N10/c1-5-17-41(18-6-1)59-67-60(42-19-7-2-8-20-42)70-63(69-59)53-33-31-47(39-65-53)73-55-27-15-13-25-49(55)51-37-45(29-35-57(51)73)46-30-36-58-52(38-46)50-26-14-16-28-56(50)74(58)48-32-34-54(66-40-48)64-71-61(43-21-9-3-10-22-43)68-62(72-64)44-23-11-4-12-24-44/h1-39,59,61,63-64,66,69,71H,40H2,(H,67,70)(H,68,72)
InChIKeyKAPJUAQLZSORNG-UHFFFAOYSA-N
XLogP12.28
TPSA107.62 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500959.17
LogP ≤ 512.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 3-[9-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-1,2-dihydropyridin-3-yl]carbazol-3-yl]-9-[6-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-3-pyridinyl]carbazole 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

9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 129156452
3-[9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90132067
3-dibenzothiophen-2-yl-9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]carbazole
CID 145064186
9-[3-[6-[4-(3-phenylphenyl)phenyl]-2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 126628162
5-[3-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 145085378
3-carbazol-9-yl-9-[5-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)cyclohexa-1,5-dien-1-yl]carbazole
CID 126700298
11-[4-(4-naphthalen-2-yl-2-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 163563553
9-[6-(6-chloro-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-3-pyridinyl]carbazole
CID 130217525
9-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3-(6-phenyldibenzofuran-4-yl)carbazole
CID 145085338
3-dibenzofuran-4-yl-9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]carbazole
CID 145077505
9-[7-[9-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole
CID 166962590
9-[16-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-yl]carbazole
CID 146664854

Frequently Asked Questions

What is the IUPAC name of 3-[9-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-1,2-dihydropyridin-3-yl]carbazol-3-yl]-9-[6-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-3-pyridinyl]carbazole?
The IUPAC name of 3-[9-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-1,2-dihydropyridin-3-yl]carbazol-3-yl]-9-[6-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-3-pyridinyl]carbazole (CID 137123829) is 3-[9-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-1,2-dihydropyridin-3-yl]carbazol-3-yl]-9-[6-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-3-pyridinyl]carbazole.
What is the SMILES notation for 3-[9-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-1,2-dihydropyridin-3-yl]carbazol-3-yl]-9-[6-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-3-pyridinyl]carbazole?
The canonical SMILES for 3-[9-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-1,2-dihydropyridin-3-yl]carbazol-3-yl]-9-[6-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-3-pyridinyl]carbazole is C1=C(C2NC(c3ccccc3)=NC(c3ccccc3)N2)NCC(n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(C5N=C(c6ccccc6)NC(c6ccccc6)N5)nc4)ccc32)=C1.
What is the InChIKey of 3-[9-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-1,2-dihydropyridin-3-yl]carbazol-3-yl]-9-[6-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-3-pyridinyl]carbazole?
The InChIKey is KAPJUAQLZSORNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H50N10/c1-5-17-41(18-6-1)59-67-60(42-19-7-2-8-20-42)70-63(69-59)53-33-31-47(39-65-53)73-55-27-15-13-25-49(55)51-37-45(29-35-57(51)73)46-30-36-58-52(38-46)50-26-14-16-28-56(50)74(58)48-32-34-54(66-40-48)64-71-61(43-21-9-3-10-22-43)68-62(72-64)44-23-11-4-12-24-44/h1-39,59,61,63-64,66,69,71H,40H2,(H,67,70)(H,68,72).
What are the key properties of 3-[9-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-1,2-dihydropyridin-3-yl]carbazol-3-yl]-9-[6-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-3-pyridinyl]carbazole?
3-[9-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-1,2-dihydropyridin-3-yl]carbazol-3-yl]-9-[6-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-3-pyridinyl]carbazole has a molecular weight of 959.17 g/mol, XLogP of 12.28, 9 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[6-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)-1,2-dihydropyridin-3-yl]carbazol-3-yl]-9-[6-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-3-pyridinyl]carbazole is sourced from PubChem (CID 137123829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).