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

C48H32N4O — CID 165076311

IUPAC9-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6c(-n7c8ccccc8c8ccccc87)cccc6c45)n3)ccc21
InChIInChI=1S/C48H32N4O/c1-48(2)37-21-9-6-16-31(37)36-28-30(26-27-38(36)48)46-49-45(29-14-4-3-5-15-29)50-47(51-46)35-20-13-25-42-43(35)34-19-12-24-41(44(34)53-42)52-39-22-10-7-17-32(39)33-18-8-11-23-40(33)52/h3-28H,1-2H3
InChIKeyUJBFHVUQULGKEZ-UHFFFAOYSA-N
MW680.81 g/mol
LogP12.18
Rot. Bonds4

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

9-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole (PubChem CID 165076311) has the molecular formula C48H32N4O and a molecular weight of 680.81 g/mol. Its IUPAC name is 9-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name9-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
PubChem CID165076311
Molecular FormulaC48H32N4O
Molecular Weight680.81 g/mol
Exact Mass680.26
IUPAC Name9-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6c(-n7c8ccccc8c8ccccc87)cccc6c45)n3)ccc21
InChIInChI=1S/C48H32N4O/c1-48(2)37-21-9-6-16-31(37)36-28-30(26-27-38(36)48)46-49-45(29-14-4-3-5-15-29)50-47(51-46)35-20-13-25-42-43(35)34-19-12-24-41(44(34)53-42)52-39-22-10-7-17-32(39)33-18-8-11-23-40(33)52/h3-28H,1-2H3
InChIKeyUJBFHVUQULGKEZ-UHFFFAOYSA-N
XLogP12.18
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.81
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole
CID 146519894
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146336057
9-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-4-phenylcarbazole;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole;9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-4-phenylcarbazole;9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-4-phenylcarbazole
CID 161474330
12-(9,9-dimethylfluoren-1-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 146761337
7,7-dimethyl-5-[9-[4-(6-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole
CID 146337596
2,6-diphenyl-9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 146333950
1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(8-phenyldibenzofuran-4-yl)carbazole
CID 170080363
9-[2-[4-(9,9-dimethylfluoren-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 171724613
12-[2-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-a]carbazole
CID 164953799
9-[1-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 165166711
10-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 118507775
7,7-dimethyl-5-[9-(2-phenylquinolin-4-yl)dibenzofuran-4-yl]indeno[2,1-b]carbazole
CID 146334221

Frequently Asked Questions

What is the IUPAC name of 9-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole?
The IUPAC name of 9-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole (CID 165076311) is 9-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 9-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole?
The canonical SMILES for 9-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole is CC1(C)c2ccccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6c(-n7c8ccccc8c8ccccc87)cccc6c45)n3)ccc21.
What is the InChIKey of 9-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole?
The InChIKey is UJBFHVUQULGKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N4O/c1-48(2)37-21-9-6-16-31(37)36-28-30(26-27-38(36)48)46-49-45(29-14-4-3-5-15-29)50-47(51-46)35-20-13-25-42-43(35)34-19-12-24-41(44(34)53-42)52-39-22-10-7-17-32(39)33-18-8-11-23-40(33)52/h3-28H,1-2H3.
What are the key properties of 9-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole?
9-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole has a molecular weight of 680.81 g/mol, XLogP of 12.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 165076311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).