9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]carbazole

C46H35N5 — CID 166647626

IUPAC9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]carbazole
SMILESCC1CC=Cc2c1c1c(n2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccccc43)c2)C=CCC1
InChIInChI=1S/C46H35N5/c1-30-15-14-26-42-43(30)38-22-10-13-25-41(38)51(42)35-28-33(27-34(29-35)50-39-23-11-8-20-36(39)37-21-9-12-24-40(37)50)46-48-44(31-16-4-2-5-17-31)47-45(49-46)32-18-6-3-7-19-32/h2-9,11-14,16-21,23-30H,10,15,22H2,1H3
InChIKeyMFWIVDODAHHVJF-UHFFFAOYSA-N
MW657.82 g/mol
LogP11.24
Rot. Bonds5

About 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]carbazole

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]carbazole (PubChem CID 166647626) has the molecular formula C46H35N5 and a molecular weight of 657.82 g/mol. Its IUPAC name is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]carbazole
PubChem CID166647626
Molecular FormulaC46H35N5
Molecular Weight657.82 g/mol
Exact Mass657.29
IUPAC Name9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]carbazole
SMILESCC1CC=Cc2c1c1c(n2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccccc43)c2)C=CCC1
InChIInChI=1S/C46H35N5/c1-30-15-14-26-42-43(30)38-22-10-13-25-41(38)51(42)35-28-33(27-34(29-35)50-39-23-11-8-20-36(39)37-21-9-12-24-40(37)50)46-48-44(31-16-4-2-5-17-31)47-45(49-46)32-18-6-3-7-19-32/h2-9,11-14,16-21,23-30H,10,15,22H2,1H3
InChIKeyMFWIVDODAHHVJF-UHFFFAOYSA-N
XLogP11.24
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.82
LogP ≤ 511.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]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

11-methyl-5-phenyl-7-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,11-dihydroindolo[2,3-b]carbazole
CID 162362953
9-[1-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-3-phenyl-4,5-dihydroindol-2-yl]carbazole
CID 145105608
9-[4-[6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 138614706
5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 156558011
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-phenylphenyl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)carbazole
CID 150934071
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,23-decaene
CID 135192250
9-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,6-diphenylpyrazin-2-yl]phenyl]-3,4-dihydrocarbazole
CID 170262472
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]-3-methyl-11-phenyl-3,4-dihydroindolo[2,3-a]carbazole
CID 129209891
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazole
CID 155203911
2-carbazol-9-yl-9-[4-(3,5-difluorophenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,4-dihydrocarbazol-9-yl)carbazole
CID 138565327
11-phenyl-12-[3-[3-(12-phenyl-7,8-dihydroindolo[2,3-a]carbazol-11-yl)-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
CID 88912475

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]carbazole?
The IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]carbazole (CID 166647626) is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]carbazole.
What is the SMILES notation for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]carbazole?
The canonical SMILES for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]carbazole is CC1CC=Cc2c1c1c(n2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4ccccc43)c2)C=CCC1.
What is the InChIKey of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]carbazole?
The InChIKey is MFWIVDODAHHVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35N5/c1-30-15-14-26-42-43(30)38-22-10-13-25-41(38)51(42)35-28-33(27-34(29-35)50-39-23-11-8-20-36(39)37-21-9-12-24-40(37)50)46-48-44(31-16-4-2-5-17-31)47-45(49-46)32-18-6-3-7-19-32/h2-9,11-14,16-21,23-30H,10,15,22H2,1H3.
What are the key properties of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]carbazole?
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]carbazole has a molecular weight of 657.82 g/mol, XLogP of 11.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-methyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]carbazole is sourced from PubChem (CID 166647626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).