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

C58H39N5 — CID 170097956

IUPAC2-methyl-9-[9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]carbazole
SMILESCc1ccc2c3ccccc3n(-c3ccc4c5ccccc5n(-c5ccc(-c6ccccc6)c(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n6)c5)c4c3)c2c1
InChIInChI=1S/C58H39N5/c1-38-25-32-49-47-21-11-14-24-53(47)63(54(49)35-38)45-31-34-50-48-22-12-13-23-52(48)62(55(50)37-45)44-30-33-46(41-17-7-3-8-18-41)51(36-44)58-60-56(42-19-9-4-10-20-42)59-57(61-58)43-28-26-40(27-29-43)39-15-5-2-6-16-39/h2-37H,1H3
InChIKeyFRVVUTDZSFULTN-UHFFFAOYSA-N
MW805.99 g/mol
LogP14.71
Rot. Bonds7

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

2-methyl-9-[9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]carbazole (PubChem CID 170097956) has the molecular formula C58H39N5 and a molecular weight of 805.99 g/mol. Its IUPAC name is 2-methyl-9-[9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]carbazole.

Molecular Properties

Compound Name2-methyl-9-[9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]carbazole
PubChem CID170097956
Molecular FormulaC58H39N5
Molecular Weight805.99 g/mol
Exact Mass805.32
IUPAC Name2-methyl-9-[9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]carbazole
SMILESCc1ccc2c3ccccc3n(-c3ccc4c5ccccc5n(-c5ccc(-c6ccccc6)c(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n6)c5)c4c3)c2c1
InChIInChI=1S/C58H39N5/c1-38-25-32-49-47-21-11-14-24-53(47)63(54(49)35-38)45-31-34-50-48-22-12-13-23-52(48)62(55(50)37-45)44-30-33-46(41-17-7-3-8-18-41)51(36-44)58-60-56(42-19-9-4-10-20-42)59-57(61-58)43-28-26-40(27-29-43)39-15-5-2-6-16-39/h2-37H,1H3
InChIKeyFRVVUTDZSFULTN-UHFFFAOYSA-N
XLogP14.71
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.99
LogP ≤ 514.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2-methylcarbazole
CID 138578667
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]-2,7-dimethylcarbazole
CID 167261851
9-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-carbazol-9-yl-7-(3,6-diphenylcarbazol-9-yl)carbazole
CID 88878767
2-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridin-4-ylphenyl]carbazole
CID 167261829
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]carbazole
CID 176640480
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-2-methylcarbazole
CID 138486436
2-carbazol-9-yl-9-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164807814
2-carbazol-9-yl-9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole
CID 170097738
[3-[4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane;[3-[4-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-triphenylsilane;[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
CID 159391301
2-carbazol-9-yl-9-[2-phenyl-5-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 170096976
2-carbazol-9-yl-9-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylphenyl]carbazole
CID 176640466
3-[9-[4-[4-(2,5-diphenylphenyl)-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134236859

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-[9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]carbazole?
The IUPAC name of 2-methyl-9-[9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]carbazole (CID 170097956) is 2-methyl-9-[9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]carbazole.
What is the SMILES notation for 2-methyl-9-[9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]carbazole?
The canonical SMILES for 2-methyl-9-[9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]carbazole is Cc1ccc2c3ccccc3n(-c3ccc4c5ccccc5n(-c5ccc(-c6ccccc6)c(-c6nc(-c7ccccc7)nc(-c7ccc(-c8ccccc8)cc7)n6)c5)c4c3)c2c1.
What is the InChIKey of 2-methyl-9-[9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]carbazole?
The InChIKey is FRVVUTDZSFULTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N5/c1-38-25-32-49-47-21-11-14-24-53(47)63(54(49)35-38)45-31-34-50-48-22-12-13-23-52(48)62(55(50)37-45)44-30-33-46(41-17-7-3-8-18-41)51(36-44)58-60-56(42-19-9-4-10-20-42)59-57(61-58)43-28-26-40(27-29-43)39-15-5-2-6-16-39/h2-37H,1H3.
What are the key properties of 2-methyl-9-[9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]carbazole?
2-methyl-9-[9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]carbazole has a molecular weight of 805.99 g/mol, XLogP of 14.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-[9-[4-phenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]carbazole is sourced from PubChem (CID 170097956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).