5-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-methyl-7-phenylindeno[2,1-b]carbazole

C47H34N4 — CID 145377307

IUPAC5-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-methyl-7-phenylindeno[2,1-b]carbazole
SMILESCC1(c2ccccc2)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5nc(C6=CCCC=C6)nc(-c6ccccc6)n5)c4)c3cc21
InChIInChI=1S/C47H34N4/c1-47(34-21-9-4-10-22-34)40-26-13-11-24-36(40)38-29-39-37-25-12-14-27-42(37)51(43(39)30-41(38)47)35-23-15-20-33(28-35)46-49-44(31-16-5-2-6-17-31)48-45(50-46)32-18-7-3-8-19-32/h2,4-7,9-30H,3,8H2,1H3
InChIKeyHMQXSRQEECWUHG-UHFFFAOYSA-N
MW654.82 g/mol
LogP11.37
Rot. Bonds5

About 5-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-methyl-7-phenylindeno[2,1-b]carbazole

5-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-methyl-7-phenylindeno[2,1-b]carbazole (PubChem CID 145377307) has the molecular formula C47H34N4 and a molecular weight of 654.82 g/mol. Its IUPAC name is 5-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-methyl-7-phenylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-methyl-7-phenylindeno[2,1-b]carbazole
PubChem CID145377307
Molecular FormulaC47H34N4
Molecular Weight654.82 g/mol
Exact Mass654.28
IUPAC Name5-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-methyl-7-phenylindeno[2,1-b]carbazole
SMILESCC1(c2ccccc2)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5nc(C6=CCCC=C6)nc(-c6ccccc6)n5)c4)c3cc21
InChIInChI=1S/C47H34N4/c1-47(34-21-9-4-10-22-34)40-26-13-11-24-36(40)38-29-39-37-25-12-14-27-42(37)51(43(39)30-41(38)47)35-23-15-20-33(28-35)46-49-44(31-16-5-2-6-17-31)48-45(50-46)32-18-7-3-8-19-32/h2,4-7,9-30H,3,8H2,1H3
InChIKeyHMQXSRQEECWUHG-UHFFFAOYSA-N
XLogP11.37
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.82
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-[5-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 137381314
7,7-dimethyl-5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole;ethane
CID 142377951
5-[3-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014140
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,7,7-triphenylindeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,7,7-triphenylindeno[2,1-b]carbazole
CID 165028422
7,7-dimethyl-5-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole
CID 139567879
5-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-diphenylindeno[2,1-b]carbazole
CID 169014518
11-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole
CID 131973034
5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-11-methyl-11-phenylindeno[1,2-b]carbazole
CID 130231208
23-carbazol-9-yl-2-methyl-34-phenyl-29-(3-phenylphenyl)-20,28,30,37-tetrazanonacyclo[30.3.1.19,13.127,31.02,10.03,8.012,20.014,19.021,26]octatriaconta-1(35),3,5,7,9,11,13(38),14,16,18,21(26),22,24,27(37),28,30,32(36),33-octadecaene
CID 146534851
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 159306197
3-[9-[2-carbazol-9-yl-5-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 166701858
5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;ethane
CID 145017062

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-methyl-7-phenylindeno[2,1-b]carbazole?
The IUPAC name of 5-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-methyl-7-phenylindeno[2,1-b]carbazole (CID 145377307) is 5-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-methyl-7-phenylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-methyl-7-phenylindeno[2,1-b]carbazole?
The canonical SMILES for 5-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-methyl-7-phenylindeno[2,1-b]carbazole is CC1(c2ccccc2)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5nc(C6=CCCC=C6)nc(-c6ccccc6)n5)c4)c3cc21.
What is the InChIKey of 5-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-methyl-7-phenylindeno[2,1-b]carbazole?
The InChIKey is HMQXSRQEECWUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N4/c1-47(34-21-9-4-10-22-34)40-26-13-11-24-36(40)38-29-39-37-25-12-14-27-42(37)51(43(39)30-41(38)47)35-23-15-20-33(28-35)46-49-44(31-16-5-2-6-17-31)48-45(50-46)32-18-7-3-8-19-32/h2,4-7,9-30H,3,8H2,1H3.
What are the key properties of 5-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-methyl-7-phenylindeno[2,1-b]carbazole?
5-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-methyl-7-phenylindeno[2,1-b]carbazole has a molecular weight of 654.82 g/mol, XLogP of 11.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-methyl-7-phenylindeno[2,1-b]carbazole is sourced from PubChem (CID 145377307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).