7-[1-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[c]carbazole

C58H38N4O — CID 164847855

IUPAC7-[1-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cc(-n5c6ccccc6c6c7ccccc7ccc65)cc5oc6ccccc6c45)n3)cc21
InChIInChI=1S/C58H38N4O/c1-58(2)47-24-11-8-21-42(47)43-29-27-39(32-48(43)58)56-59-55(38-19-14-18-37(31-38)35-15-4-3-5-16-35)60-57(61-56)46-33-40(34-52-54(46)45-23-10-13-26-51(45)63-52)62-49-25-12-9-22-44(49)53-41-20-7-6-17-36(41)28-30-50(53)62/h3-34H,1-2H3
InChIKeyIBISVJMJYOTSRF-UHFFFAOYSA-N
MW806.97 g/mol
LogP15.00
Rot. Bonds5

About 7-[1-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[c]carbazole

7-[1-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[c]carbazole (PubChem CID 164847855) has the molecular formula C58H38N4O and a molecular weight of 806.97 g/mol. Its IUPAC name is 7-[1-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[c]carbazole.

Molecular Properties

Compound Name7-[1-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[c]carbazole
PubChem CID164847855
Molecular FormulaC58H38N4O
Molecular Weight806.97 g/mol
Exact Mass806.30
IUPAC Name7-[1-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cc(-n5c6ccccc6c6c7ccccc7ccc65)cc5oc6ccccc6c45)n3)cc21
InChIInChI=1S/C58H38N4O/c1-58(2)47-24-11-8-21-42(47)43-29-27-39(32-48(43)58)56-59-55(38-19-14-18-37(31-38)35-15-4-3-5-16-35)60-57(61-56)46-33-40(34-52-54(46)45-23-10-13-26-51(45)63-52)62-49-25-12-9-22-44(49)53-41-20-7-6-17-36(41)28-30-50(53)62/h3-34H,1-2H3
InChIKeyIBISVJMJYOTSRF-UHFFFAOYSA-N
XLogP15.00
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.97
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-10-(4-phenylphenyl)benzo[c]carbazole
CID 164847964
7-[1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[c]carbazole
CID 164847996
9-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-2-phenylcarbazole
CID 146337857
7-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]benzo[c]carbazole
CID 170253549
3-[9-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-naphthalen-2-ylcarbazole;9-phenyl-3-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole
CID 158316939
2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166002258
2-(9,9-dimethylfluoren-2-yl)-4-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170301829
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-(4-dibenzofuran-1-ylphenyl)-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146649093
2-dibenzofuran-1-yl-4-[3-(6-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-6-phenyl-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-[3-(6-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 167675014
5-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 163915985
11,11-dimethyl-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]indeno[1,2-b]carbazole
CID 146338085

Frequently Asked Questions

What is the IUPAC name of 7-[1-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[c]carbazole?
The IUPAC name of 7-[1-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[c]carbazole (CID 164847855) is 7-[1-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[c]carbazole.
What is the SMILES notation for 7-[1-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[c]carbazole?
The canonical SMILES for 7-[1-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[c]carbazole is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cc(-n5c6ccccc6c6c7ccccc7ccc65)cc5oc6ccccc6c45)n3)cc21.
What is the InChIKey of 7-[1-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[c]carbazole?
The InChIKey is IBISVJMJYOTSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4O/c1-58(2)47-24-11-8-21-42(47)43-29-27-39(32-48(43)58)56-59-55(38-19-14-18-37(31-38)35-15-4-3-5-16-35)60-57(61-56)46-33-40(34-52-54(46)45-23-10-13-26-51(45)63-52)62-49-25-12-9-22-44(49)53-41-20-7-6-17-36(41)28-30-50(53)62/h3-34H,1-2H3.
What are the key properties of 7-[1-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[c]carbazole?
7-[1-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[c]carbazole has a molecular weight of 806.97 g/mol, XLogP of 15.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[c]carbazole is sourced from PubChem (CID 164847855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).