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

C51H36N6 — CID 134427970

IUPAC5-[6-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole
SMILESCC1C=CC=C(c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)n4)n3)cc2)C1
InChIInChI=1S/C51H36N6/c1-33-14-12-17-37(30-33)34-26-28-36(29-27-34)50-53-49(35-15-4-2-5-16-35)54-51(55-50)43-22-13-25-48(52-43)57-45-24-11-9-21-40(45)42-31-41-39-20-8-10-23-44(39)56(46(41)32-47(42)57)38-18-6-3-7-19-38/h2-29,31-33H,30H2,1H3
InChIKeyCJULETWQEIFVEN-UHFFFAOYSA-N
MW732.89 g/mol
LogP12.44
Rot. Bonds6

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

5-[6-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 134427970) has the molecular formula C51H36N6 and a molecular weight of 732.89 g/mol. Its IUPAC name is 5-[6-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[6-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole
PubChem CID134427970
Molecular FormulaC51H36N6
Molecular Weight732.89 g/mol
Exact Mass732.30
IUPAC Name5-[6-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole
SMILESCC1C=CC=C(c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)n4)n3)cc2)C1
InChIInChI=1S/C51H36N6/c1-33-14-12-17-37(30-33)34-26-28-36(29-27-34)50-53-49(35-15-4-2-5-16-35)54-51(55-50)43-22-13-25-48(52-43)57-45-24-11-9-21-40(45)42-31-41-39-20-8-10-23-44(39)56(46(41)32-47(42)57)38-18-6-3-7-19-38/h2-29,31-33H,30H2,1H3
InChIKeyCJULETWQEIFVEN-UHFFFAOYSA-N
XLogP12.44
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.89
LogP ≤ 512.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-(6-carbazol-9-yl-2-pyridinyl)-2,7,10-triphenylindolo[2,3-b]carbazole
CID 118504605
9-[3-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]phenyl]carbazole
CID 149267865
5-phenyl-11-(6-phenyl-2-pyridinyl)indolo[3,2-b]carbazole
CID 58570053
3-[3-(9-phenylcarbazol-3-yl)phenyl]-9-(6-phenyl-2-pyridinyl)carbazole
CID 126764108
5-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 126580236
5-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 169014900
5,7-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole
CID 58038356
5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole;7-phenyl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]indolo[2,3-b]carbazole
CID 158545960
5-[4-[4-(3-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 162362546
5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
CID 118508799
5-(2,6-diphenylpyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole
CID 134168850
5'-[6-(5-methylcyclohexa-1,3-dien-1-yl)-2-phenylpyrimidin-4-yl]-10-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[acridine-9,9'-fluorene]
CID 142481743

Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-[6-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole (CID 134427970) is 5-[6-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[6-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-[6-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole is CC1C=CC=C(c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)n4)n3)cc2)C1.
What is the InChIKey of 5-[6-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole?
The InChIKey is CJULETWQEIFVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N6/c1-33-14-12-17-37(30-33)34-26-28-36(29-27-34)50-53-49(35-15-4-2-5-16-35)54-51(55-50)43-22-13-25-48(52-43)57-45-24-11-9-21-40(45)42-31-41-39-20-8-10-23-44(39)56(46(41)32-47(42)57)38-18-6-3-7-19-38/h2-29,31-33H,30H2,1H3.
What are the key properties of 5-[6-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole?
5-[6-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 732.89 g/mol, XLogP of 12.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-pyridinyl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 134427970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).