9-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-4-cyclohexylcarbazole

C57H44N4 — CID 170658965

IUPAC9-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-4-cyclohexylcarbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)c(-n5c6ccccc6c6c(C7CCCCC7)cccc65)c4)n3)cc2)cc1
InChIInChI=1S/C57H44N4/c1-5-16-39(17-6-1)41-28-32-45(33-29-41)55-58-56(46-34-30-42(31-35-46)40-18-7-2-8-19-40)60-57(59-55)47-36-37-48(43-20-9-3-10-21-43)53(38-47)61-51-26-14-13-24-50(51)54-49(25-15-27-52(54)61)44-22-11-4-12-23-44/h1-3,5-10,13-21,24-38,44H,4,11-12,22-23H2
InChIKeyKGHDUNFSLKCADF-UHFFFAOYSA-N
MW785.01 g/mol
LogP15.02
Rot. Bonds8

About 9-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-4-cyclohexylcarbazole

9-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-4-cyclohexylcarbazole (PubChem CID 170658965) has the molecular formula C57H44N4 and a molecular weight of 785.01 g/mol. Its IUPAC name is 9-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-4-cyclohexylcarbazole.

Molecular Properties

Compound Name9-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-4-cyclohexylcarbazole
PubChem CID170658965
Molecular FormulaC57H44N4
Molecular Weight785.01 g/mol
Exact Mass784.36
IUPAC Name9-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-4-cyclohexylcarbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)c(-n5c6ccccc6c6c(C7CCCCC7)cccc65)c4)n3)cc2)cc1
InChIInChI=1S/C57H44N4/c1-5-16-39(17-6-1)41-28-32-45(33-29-41)55-58-56(46-34-30-42(31-35-46)40-18-7-2-8-19-40)60-57(59-55)47-36-37-48(43-20-9-3-10-21-43)53(38-47)61-51-26-14-13-24-50(51)54-49(25-15-27-52(54)61)44-22-11-4-12-23-44/h1-3,5-10,13-21,24-38,44H,4,11-12,22-23H2
InChIKeyKGHDUNFSLKCADF-UHFFFAOYSA-N
XLogP15.02
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.01
LogP ≤ 515.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]-4-cyclohexylcarbazole
CID 170659193
9-[2-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658510
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-4-phenylcarbazole
CID 177099854
9-[5-[4-[3-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 139303416
4-phenyl-9-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 167032359
9-[3-[4-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 139303393
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-[3-(4-phenylphenyl)phenyl]carbazole
CID 170539148
4-(9-phenylcarbazol-4-yl)-9-[5-phenyl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 174270121
9-[2-[4-[3-carbazol-9-yl-4-[3-(3-phenylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 139303113
1-carbazol-9-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 170096979
4-(9-phenylcarbazol-4-yl)-9-[5-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 174270072
9-[2-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658651

Frequently Asked Questions

What is the IUPAC name of 9-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-4-cyclohexylcarbazole?
The IUPAC name of 9-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-4-cyclohexylcarbazole (CID 170658965) is 9-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-4-cyclohexylcarbazole.
What is the SMILES notation for 9-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-4-cyclohexylcarbazole?
The canonical SMILES for 9-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-4-cyclohexylcarbazole is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)c(-n5c6ccccc6c6c(C7CCCCC7)cccc65)c4)n3)cc2)cc1.
What is the InChIKey of 9-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-4-cyclohexylcarbazole?
The InChIKey is KGHDUNFSLKCADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H44N4/c1-5-16-39(17-6-1)41-28-32-45(33-29-41)55-58-56(46-34-30-42(31-35-46)40-18-7-2-8-19-40)60-57(59-55)47-36-37-48(43-20-9-3-10-21-43)53(38-47)61-51-26-14-13-24-50(51)54-49(25-15-27-52(54)61)44-22-11-4-12-23-44/h1-3,5-10,13-21,24-38,44H,4,11-12,22-23H2.
What are the key properties of 9-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-4-cyclohexylcarbazole?
9-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-4-cyclohexylcarbazole has a molecular weight of 785.01 g/mol, XLogP of 15.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]-4-cyclohexylcarbazole is sourced from PubChem (CID 170658965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).