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

C69H47N5 — CID 171771502

IUPAC5-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole
SMILESC1=CCC(c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccc5)cc4)c(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c(-c4ccc(-c5ccccc5)cc4)c3)n2)C=C1
InChIInChI=1S/C69H47N5/c1-6-20-46(21-7-1)48-34-38-50(39-35-48)58-42-54(69-71-67(52-24-10-3-11-25-52)70-68(72-69)53-26-12-4-13-27-53)43-59(51-40-36-49(37-41-51)47-22-8-2-9-23-47)66(58)74-63-33-19-17-31-57(63)61-44-60-56-30-16-18-32-62(56)73(64(60)45-65(61)74)55-28-14-5-15-29-55/h1-26,28-45,53H,27H2
InChIKeyVBXXGJLUYXTYNQ-UHFFFAOYSA-N
MW946.17 g/mol
LogP17.67
Rot. Bonds9

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

5-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 171771502) has the molecular formula C69H47N5 and a molecular weight of 946.17 g/mol. Its IUPAC name is 5-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole
PubChem CID171771502
Molecular FormulaC69H47N5
Molecular Weight946.17 g/mol
Exact Mass945.38
IUPAC Name5-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole
SMILESC1=CCC(c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccc5)cc4)c(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c(-c4ccc(-c5ccccc5)cc4)c3)n2)C=C1
InChIInChI=1S/C69H47N5/c1-6-20-46(21-7-1)48-34-38-50(39-35-48)58-42-54(69-71-67(52-24-10-3-11-25-52)70-68(72-69)53-26-12-4-13-27-53)43-59(51-40-36-49(37-41-51)47-22-8-2-9-23-47)66(58)74-63-33-19-17-31-57(63)61-44-60-56-30-16-18-32-62(56)73(64(60)45-65(61)74)55-28-14-5-15-29-55/h1-26,28-45,53H,27H2
InChIKeyVBXXGJLUYXTYNQ-UHFFFAOYSA-N
XLogP17.67
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500946.17
LogP ≤ 517.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole with MolForge

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Related Compounds

3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 123883456
3-[9-[3-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 165155084
9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(4-phenylphenyl)phenyl]-3-phenylcarbazole
CID 167401664
5-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenylpyrimidin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 134438469
9-[4-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-dimethylcarbazole
CID 155205585
5-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole
CID 155179799
11-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-5-phenylindolo[3,2-b]carbazole
CID 146280406
2-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 121306181
3-carbazol-9-yl-9-[2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-(4-phenylphenyl)phenyl]-5-phenylcarbazole
CID 177276951
5-[4-(4-cyclohexa-2,4-dien-1-ylcyclohexa-2,4-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-[2-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 175629003
9-[2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-[4-[(1S)-cyclohexa-2,4-dien-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-6-[(4R)-4-phenylcyclohexa-1,5-dien-1-yl]phenyl]-3,6-diphenylcarbazole
CID 167072509
3-carbazol-9-yl-9-[2-cyclohexa-2,4-dien-1-yl-4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
CID 167403558

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole (CID 171771502) is 5-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole is C1=CCC(c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccc5)cc4)c(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)c(-c4ccc(-c5ccccc5)cc4)c3)n2)C=C1.
What is the InChIKey of 5-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole?
The InChIKey is VBXXGJLUYXTYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H47N5/c1-6-20-46(21-7-1)48-34-38-50(39-35-48)58-42-54(69-71-67(52-24-10-3-11-25-52)70-68(72-69)53-26-12-4-13-27-53)43-59(51-40-36-49(37-41-51)47-22-8-2-9-23-47)66(58)74-63-33-19-17-31-57(63)61-44-60-56-30-16-18-32-62(56)73(64(60)45-65(61)74)55-28-14-5-15-29-55/h1-26,28-45,53H,27H2.
What are the key properties of 5-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole?
5-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 946.17 g/mol, XLogP of 17.67, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2,6-bis(4-phenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 171771502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).