5-[3-[2-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6a,9,10-tetrahydroindolo[3,2-b]carbazole

C61H45N7 — CID 170137983

IUPAC5-[3-[2-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6a,9,10-tetrahydroindolo[3,2-b]carbazole
SMILESC1=CC(c2cccc(-c3nc(-c4ccccc4)cc(-c4cccc(-n5c6c(c7ccccc75)C=C5C(C6)C6=C(CCC=C6)N5c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)n3)c2)=CCC1
InChIInChI=1S/C61H45N7/c1-5-19-40(20-6-1)44-27-17-29-46(35-44)60-62-52(41-21-7-2-8-22-41)39-53(63-60)45-28-18-30-47(36-45)67-54-33-15-13-31-48(54)50-38-57-51(37-56(50)67)49-32-14-16-34-55(49)68(57)61-65-58(42-23-9-3-10-24-42)64-59(66-61)43-25-11-4-12-26-43/h2-5,7-15,17-33,35-36,38-39,51H,1,6,16,34,37H2
InChIKeyRFXLWBAMPLFDEC-UHFFFAOYSA-N
MW876.08 g/mol
LogP14.31
Rot. Bonds8

About 5-[3-[2-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6a,9,10-tetrahydroindolo[3,2-b]carbazole

5-[3-[2-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6a,9,10-tetrahydroindolo[3,2-b]carbazole (PubChem CID 170137983) has the molecular formula C61H45N7 and a molecular weight of 876.08 g/mol. Its IUPAC name is 5-[3-[2-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6a,9,10-tetrahydroindolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-[3-[2-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6a,9,10-tetrahydroindolo[3,2-b]carbazole
PubChem CID170137983
Molecular FormulaC61H45N7
Molecular Weight876.08 g/mol
Exact Mass875.37
IUPAC Name5-[3-[2-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6a,9,10-tetrahydroindolo[3,2-b]carbazole
SMILESC1=CC(c2cccc(-c3nc(-c4ccccc4)cc(-c4cccc(-n5c6c(c7ccccc75)C=C5C(C6)C6=C(CCC=C6)N5c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)n3)c2)=CCC1
InChIInChI=1S/C61H45N7/c1-5-19-40(20-6-1)44-27-17-29-46(35-44)60-62-52(41-21-7-2-8-22-41)39-53(63-60)45-28-18-30-47(36-45)67-54-33-15-13-31-48(54)50-38-57-51(37-56(50)67)49-32-14-16-34-55(49)68(57)61-65-58(42-23-9-3-10-24-42)64-59(66-61)43-25-11-4-12-26-43/h2-5,7-15,17-33,35-36,38-39,51H,1,6,16,34,37H2
InChIKeyRFXLWBAMPLFDEC-UHFFFAOYSA-N
XLogP14.31
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.08
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[3-[2-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6a,9,10-tetrahydroindolo[3,2-b]carbazole with MolForge

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Related Compounds

9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole
CID 126627650
9-[4-[6-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 145283567
12-[4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)-3,4,9,10-tetrahydroindolo[2,3-a]carbazole
CID 170024945
9-[3-[8-[4-(6-cyclohexa-1,5-dien-1-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 137381788
12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-3,4-dihydroindolo[3,2-c]carbazole
CID 170205976
3-[9-[4-[3-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]pyrimidin-2-yl]-1,2-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 134438397
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-cyclohexa-1,5-dien-1-ylcarbazole
CID 174355929
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7-phenyl-8,9-dihydroindolo[2,3-b]carbazole
CID 149205020
11-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole
CID 170138762
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,10-dihydroindolo[3,2-b]carbazole
CID 170137926
9-[3-[4-[2-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]phenyl]carbazole;9-[3-[4-[4-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 159741626
9-[3-[4-[3-(3-phenylphenyl)phenyl]-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]pyrimidin-2-yl]phenyl]carbazole;9-[3-[2-[3-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidin-4-yl]phenyl]carbazole;9-[3-[4-[3-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 161143543

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6a,9,10-tetrahydroindolo[3,2-b]carbazole?
The IUPAC name of 5-[3-[2-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6a,9,10-tetrahydroindolo[3,2-b]carbazole (CID 170137983) is 5-[3-[2-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6a,9,10-tetrahydroindolo[3,2-b]carbazole.
What is the SMILES notation for 5-[3-[2-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6a,9,10-tetrahydroindolo[3,2-b]carbazole?
The canonical SMILES for 5-[3-[2-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6a,9,10-tetrahydroindolo[3,2-b]carbazole is C1=CC(c2cccc(-c3nc(-c4ccccc4)cc(-c4cccc(-n5c6c(c7ccccc75)C=C5C(C6)C6=C(CCC=C6)N5c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)n3)c2)=CCC1.
What is the InChIKey of 5-[3-[2-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6a,9,10-tetrahydroindolo[3,2-b]carbazole?
The InChIKey is RFXLWBAMPLFDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45N7/c1-5-19-40(20-6-1)44-27-17-29-46(35-44)60-62-52(41-21-7-2-8-22-41)39-53(63-60)45-28-18-30-47(36-45)67-54-33-15-13-31-48(54)50-38-57-51(37-56(50)67)49-32-14-16-34-55(49)68(57)61-65-58(42-23-9-3-10-24-42)64-59(66-61)43-25-11-4-12-26-43/h2-5,7-15,17-33,35-36,38-39,51H,1,6,16,34,37H2.
What are the key properties of 5-[3-[2-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6a,9,10-tetrahydroindolo[3,2-b]carbazole?
5-[3-[2-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6a,9,10-tetrahydroindolo[3,2-b]carbazole has a molecular weight of 876.08 g/mol, XLogP of 14.31, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6a,9,10-tetrahydroindolo[3,2-b]carbazole is sourced from PubChem (CID 170137983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).