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

C60H38N4O2 — CID 165166711

IUPAC9-[1-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7c(-n8c9ccccc9c9ccccc98)ccc8oc9ccccc9c78)cc6c45)n3)cc21
InChIInChI=1S/C60H38N4O2/c1-60(2)45-22-10-6-17-38(45)39-29-27-37(34-46(39)60)58-61-57(35-15-4-3-5-16-35)62-59(63-58)43-21-14-26-52-55(43)44-33-36(28-31-51(44)66-52)54-49(30-32-53-56(54)42-20-9-13-25-50(42)65-53)64-47-23-11-7-18-40(47)41-19-8-12-24-48(41)64/h3-34H,1-2H3
InChIKeyKMMDGKSQBHNQDH-UHFFFAOYSA-N
MW846.99 g/mol
LogP15.74
Rot. Bonds5

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

9-[1-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole (PubChem CID 165166711) has the molecular formula C60H38N4O2 and a molecular weight of 846.99 g/mol. Its IUPAC name is 9-[1-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name9-[1-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
PubChem CID165166711
Molecular FormulaC60H38N4O2
Molecular Weight846.99 g/mol
Exact Mass846.30
IUPAC Name9-[1-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7c(-n8c9ccccc9c9ccccc98)ccc8oc9ccccc9c78)cc6c45)n3)cc21
InChIInChI=1S/C60H38N4O2/c1-60(2)45-22-10-6-17-38(45)39-29-27-37(34-46(39)60)58-61-57(35-15-4-3-5-16-35)62-59(63-58)43-21-14-26-52-55(43)44-33-36(28-31-51(44)66-52)54-49(30-32-53-56(54)42-20-9-13-25-50(42)65-53)64-47-23-11-7-18-40(47)41-19-8-12-24-48(41)64/h3-34H,1-2H3
InChIKeyKMMDGKSQBHNQDH-UHFFFAOYSA-N
XLogP15.74
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.99
LogP ≤ 515.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[9-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-3-yl]carbazole
CID 165166763
2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166002258
2-dibenzofuran-2-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 153368936
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
9,9-dimethylfluorene;3-[9-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 144955849
9-dibenzofuran-1-yl-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 139568398
7-[1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole
CID 164847996
1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-1-yl)carbazole
CID 170080056
1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(8-phenyldibenzofuran-4-yl)carbazole
CID 170080363
9-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-2-phenylcarbazole
CID 146337857
2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[8-[3-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153369481
2-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 166565485

Frequently Asked Questions

What is the IUPAC name of 9-[1-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole?
The IUPAC name of 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) is 9-[1-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 9-[1-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole?
The canonical SMILES for 9-[1-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7c(-n8c9ccccc9c9ccccc98)ccc8oc9ccccc9c78)cc6c45)n3)cc21.
What is the InChIKey of 9-[1-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole?
The InChIKey is KMMDGKSQBHNQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N4O2/c1-60(2)45-22-10-6-17-38(45)39-29-27-37(34-46(39)60)58-61-57(35-15-4-3-5-16-35)62-59(63-58)43-21-14-26-52-55(43)44-33-36(28-31-51(44)66-52)54-49(30-32-53-56(54)42-20-9-13-25-50(42)65-53)64-47-23-11-7-18-40(47)41-19-8-12-24-48(41)64/h3-34H,1-2H3.
What are the key properties of 9-[1-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole?
9-[1-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole has a molecular weight of 846.99 g/mol, XLogP of 15.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 165166711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).