3-[9-[4-[5-(4-cyclohexa-1,3-dien-1-yl-3-phenylphenyl)cyclohexa-2,4-dien-1-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole

C87H59N7 — CID 134236515

IUPAC3-[9-[4-[5-(4-cyclohexa-1,3-dien-1-yl-3-phenylphenyl)cyclohexa-2,4-dien-1-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
SMILESC1=CCCC(c2ccc(C3=CC=CC(c4nc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)nc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)n4)C3)cc2-c2ccccc2)=C1
InChIInChI=1S/C87H59N7/c1-5-22-56(23-6-1)67-45-40-59(51-74(67)57-24-7-2-8-25-57)58-26-21-27-64(50-58)85-88-86(93-79-38-19-13-32-68(79)72-46-41-62(54-83(72)93)60-43-48-81-75(52-60)70-34-15-17-36-77(70)91(81)65-28-9-3-10-29-65)90-87(89-85)94-80-39-20-14-33-69(80)73-47-42-63(55-84(73)94)61-44-49-82-76(53-61)71-35-16-18-37-78(71)92(82)66-30-11-4-12-31-66/h1-5,7-22,24-49,51-55,64H,6,23,50H2
InChIKeyNKFTULMYUZNEGL-UHFFFAOYSA-N
MW1202.48 g/mol
LogP22.12
Rot. Bonds10

About 3-[9-[4-[5-(4-cyclohexa-1,3-dien-1-yl-3-phenylphenyl)cyclohexa-2,4-dien-1-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole

3-[9-[4-[5-(4-cyclohexa-1,3-dien-1-yl-3-phenylphenyl)cyclohexa-2,4-dien-1-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole (PubChem CID 134236515) has the molecular formula C87H59N7 and a molecular weight of 1202.48 g/mol. Its IUPAC name is 3-[9-[4-[5-(4-cyclohexa-1,3-dien-1-yl-3-phenylphenyl)cyclohexa-2,4-dien-1-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[4-[5-(4-cyclohexa-1,3-dien-1-yl-3-phenylphenyl)cyclohexa-2,4-dien-1-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
PubChem CID134236515
Molecular FormulaC87H59N7
Molecular Weight1202.48 g/mol
Exact Mass1201.48
IUPAC Name3-[9-[4-[5-(4-cyclohexa-1,3-dien-1-yl-3-phenylphenyl)cyclohexa-2,4-dien-1-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
SMILESC1=CCCC(c2ccc(C3=CC=CC(c4nc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)nc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)n4)C3)cc2-c2ccccc2)=C1
InChIInChI=1S/C87H59N7/c1-5-22-56(23-6-1)67-45-40-59(51-74(67)57-24-7-2-8-25-57)58-26-21-27-64(50-58)85-88-86(93-79-38-19-13-32-68(79)72-46-41-62(54-83(72)93)60-43-48-81-75(52-60)70-34-15-17-36-77(70)91(81)65-28-9-3-10-29-65)90-87(89-85)94-80-39-20-14-33-69(80)73-47-42-63(55-84(73)94)61-44-49-82-76(53-61)71-35-16-18-37-78(71)92(82)66-30-11-4-12-31-66/h1-5,7-22,24-49,51-55,64H,6,23,50H2
InChIKeyNKFTULMYUZNEGL-UHFFFAOYSA-N
XLogP22.12
TPSA58.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001202.48
LogP ≤ 522.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[9-[4-[5-(4-cyclohexa-1,3-dien-1-yl-3-phenylphenyl)cyclohexa-2,4-dien-1-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole with MolForge

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Related Compounds

2-cyclohexa-1,3-dien-1-yl-N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-[4-(2-phenylcarbazol-9-yl)phenyl]carbazol-2-yl]phenyl]-5-phenylaniline
CID 88947199
3-cyclohexa-1,3-dien-1-yl-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-9-phenylcarbazole
CID 134447534
3-carbazol-9-yl-9-[3-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-4-phenylphenyl]carbazole
CID 168762802
9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 134236623
3-(9-phenylcarbazol-2-yl)-9-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 134236507
3-phenyl-6-(9-phenylcarbazol-2-yl)-9-(5-phenylcyclohexa-2,4-dien-1-yl)carbazole
CID 145212544
3,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 122431757
3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 134236514
9-[2,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole;9-[4,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
CID 158402871
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
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(2-cyclohexa-1,3-dien-1-yl-6-phenylphenyl)carbazole
CID 170375447
9-[3-[2-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(2,4-diphenylphenyl)pyrimidin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-(2-phenylphenyl)pyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole
CID 159652525

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-[5-(4-cyclohexa-1,3-dien-1-yl-3-phenylphenyl)cyclohexa-2,4-dien-1-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[4-[5-(4-cyclohexa-1,3-dien-1-yl-3-phenylphenyl)cyclohexa-2,4-dien-1-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole (CID 134236515) is 3-[9-[4-[5-(4-cyclohexa-1,3-dien-1-yl-3-phenylphenyl)cyclohexa-2,4-dien-1-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[4-[5-(4-cyclohexa-1,3-dien-1-yl-3-phenylphenyl)cyclohexa-2,4-dien-1-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[4-[5-(4-cyclohexa-1,3-dien-1-yl-3-phenylphenyl)cyclohexa-2,4-dien-1-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole is C1=CCCC(c2ccc(C3=CC=CC(c4nc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)nc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)n4)C3)cc2-c2ccccc2)=C1.
What is the InChIKey of 3-[9-[4-[5-(4-cyclohexa-1,3-dien-1-yl-3-phenylphenyl)cyclohexa-2,4-dien-1-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
The InChIKey is NKFTULMYUZNEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H59N7/c1-5-22-56(23-6-1)67-45-40-59(51-74(67)57-24-7-2-8-25-57)58-26-21-27-64(50-58)85-88-86(93-79-38-19-13-32-68(79)72-46-41-62(54-83(72)93)60-43-48-81-75(52-60)70-34-15-17-36-77(70)91(81)65-28-9-3-10-29-65)90-87(89-85)94-80-39-20-14-33-69(80)73-47-42-63(55-84(73)94)61-44-49-82-76(53-61)71-35-16-18-37-78(71)92(82)66-30-11-4-12-31-66/h1-5,7-22,24-49,51-55,64H,6,23,50H2.
What are the key properties of 3-[9-[4-[5-(4-cyclohexa-1,3-dien-1-yl-3-phenylphenyl)cyclohexa-2,4-dien-1-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
3-[9-[4-[5-(4-cyclohexa-1,3-dien-1-yl-3-phenylphenyl)cyclohexa-2,4-dien-1-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole has a molecular weight of 1202.48 g/mol, XLogP of 22.12, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-[5-(4-cyclohexa-1,3-dien-1-yl-3-phenylphenyl)cyclohexa-2,4-dien-1-yl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 134236515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).