9-[2-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenyl]carbazole

C61H40N4 — CID 168801567

IUPAC9-[2-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc(-c5cccc(-c6ccccc6-n6c7ccccc7c7ccccc76)c5)c5ccccc45)n3)cc2)cc1
InChIInChI=1S/C61H40N4/c1-3-17-41(18-4-1)43-33-35-44(36-34-43)59-62-60(48-24-15-21-45(39-48)42-19-5-2-6-20-42)64-61(63-59)55-38-37-49(51-26-7-8-27-52(51)55)46-22-16-23-47(40-46)50-25-9-12-30-56(50)65-57-31-13-10-28-53(57)54-29-11-14-32-58(54)65/h1-40H
InChIKeyXZJDPMLTZNISLY-UHFFFAOYSA-N
MW829.02 g/mol
LogP15.79
Rot. Bonds8

About 9-[2-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenyl]carbazole

9-[2-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenyl]carbazole (PubChem CID 168801567) has the molecular formula C61H40N4 and a molecular weight of 829.02 g/mol. Its IUPAC name is 9-[2-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[2-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenyl]carbazole
PubChem CID168801567
Molecular FormulaC61H40N4
Molecular Weight829.02 g/mol
Exact Mass828.33
IUPAC Name9-[2-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc(-c5cccc(-c6ccccc6-n6c7ccccc7c7ccccc76)c5)c5ccccc45)n3)cc2)cc1
InChIInChI=1S/C61H40N4/c1-3-17-41(18-4-1)43-33-35-44(36-34-43)59-62-60(48-24-15-21-45(39-48)42-19-5-2-6-20-42)64-61(63-59)55-38-37-49(51-26-7-8-27-52(51)55)46-22-16-23-47(40-46)50-25-9-12-30-56(50)65-57-31-13-10-28-53(57)54-29-11-14-32-58(54)65/h1-40H
InChIKeyXZJDPMLTZNISLY-UHFFFAOYSA-N
XLogP15.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.02
LogP ≤ 515.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]carbazole
CID 168801597
9-[2-[3-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 168801599
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
9-[5-naphthalen-1-yl-2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170659152
9-[5-naphthalen-1-yl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170659085
9-[2-(3-phenylphenyl)-5-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170659178
9-[5-[4-[3-(2-carbazol-9-yl-4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 139303416
9-[2-[3-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
CID 139303447
9-[5-phenyl-2-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658891
9-[2-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170658510
9-[2-(3-phenylphenyl)-5-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170659249
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1-phenylcarbazole
CID 139303789

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenyl]carbazole?
The IUPAC name of 9-[2-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenyl]carbazole (CID 168801567) is 9-[2-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[2-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-[2-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenyl]carbazole is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc(-c5cccc(-c6ccccc6-n6c7ccccc7c7ccccc76)c5)c5ccccc45)n3)cc2)cc1.
What is the InChIKey of 9-[2-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenyl]carbazole?
The InChIKey is XZJDPMLTZNISLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N4/c1-3-17-41(18-4-1)43-33-35-44(36-34-43)59-62-60(48-24-15-21-45(39-48)42-19-5-2-6-20-42)64-61(63-59)55-38-37-49(51-26-7-8-27-52(51)55)46-22-16-23-47(40-46)50-25-9-12-30-56(50)65-57-31-13-10-28-53(57)54-29-11-14-32-58(54)65/h1-40H.
What are the key properties of 9-[2-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenyl]carbazole?
9-[2-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenyl]carbazole has a molecular weight of 829.02 g/mol, XLogP of 15.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[3-[4-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 168801567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).