7-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole

C55H35N7 — CID 169037005

IUPAC7-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4cc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5cc43)n2)cc1
InChIInChI=1S/C55H35N7/c1-5-19-36(20-6-1)45-34-46(37-21-7-2-8-22-37)57-54(56-45)42-29-15-18-32-49(42)61-47-30-16-13-27-40(47)43-33-44-41-28-14-17-31-48(41)62(51(44)35-50(43)61)55-59-52(38-23-9-3-10-24-38)58-53(60-55)39-25-11-4-12-26-39/h1-35H
InChIKeyNBDQLJNSLYAKAS-UHFFFAOYSA-N
MW793.93 g/mol
LogP13.19
Rot. Bonds7

About 7-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole

7-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole (PubChem CID 169037005) has the molecular formula C55H35N7 and a molecular weight of 793.93 g/mol. Its IUPAC name is 7-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole
PubChem CID169037005
Molecular FormulaC55H35N7
Molecular Weight793.93 g/mol
Exact Mass793.30
IUPAC Name7-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4cc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5cc43)n2)cc1
InChIInChI=1S/C55H35N7/c1-5-19-36(20-6-1)45-34-46(37-21-7-2-8-22-37)57-54(56-45)42-29-15-18-32-49(42)61-47-30-16-13-27-40(47)43-33-44-41-28-14-17-31-48(41)62(51(44)35-50(43)61)55-59-52(38-23-9-3-10-24-38)58-53(60-55)39-25-11-4-12-26-39/h1-35H
InChIKeyNBDQLJNSLYAKAS-UHFFFAOYSA-N
XLogP13.19
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.93
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]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-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 169036954
7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 169037159
5-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 155761345
boranuide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 158893462
11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-[2-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-b]carbazole
CID 169037058
9-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 153287600
11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole;ethane
CID 144644723
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-triphenylen-1-ylphenyl)indolo[3,2-b]carbazole
CID 170542496
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-[6-phenyl-2-(2-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole
CID 169036842
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,9-dihydroindolo[2,3-b]carbazole
CID 170136413
3-[9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[2-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 160861807
5-[2-(4-tert-butyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 170007620

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole?
The IUPAC name of 7-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole (CID 169037005) is 7-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole.
What is the SMILES notation for 7-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole?
The canonical SMILES for 7-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4cc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5cc43)n2)cc1.
What is the InChIKey of 7-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole?
The InChIKey is NBDQLJNSLYAKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N7/c1-5-19-36(20-6-1)45-34-46(37-21-7-2-8-22-37)57-54(56-45)42-29-15-18-32-49(42)61-47-30-16-13-27-40(47)43-33-44-41-28-14-17-31-48(41)62(51(44)35-50(43)61)55-59-52(38-23-9-3-10-24-38)58-53(60-55)39-25-11-4-12-26-39/h1-35H.
What are the key properties of 7-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole?
7-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole has a molecular weight of 793.93 g/mol, XLogP of 13.19, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole is sourced from PubChem (CID 169037005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).