4-[7-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenylcarbazole

C54H36N4O — CID 170681025

IUPAC4-[7-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c45)n3)ccc21
InChIInChI=1S/C54H36N4O/c1-54(2)43-23-11-9-19-37(43)42-31-34(28-30-44(42)54)52-55-51(33-15-5-3-6-16-33)56-53(57-52)35-27-29-41-48(32-35)59-47-26-14-22-39(50(41)47)38-21-13-25-46-49(38)40-20-10-12-24-45(40)58(46)36-17-7-4-8-18-36/h3-32H,1-2H3
InChIKeyOEPWWWYUCDUNFQ-UHFFFAOYSA-N
MW756.91 g/mol
LogP13.84
Rot. Bonds5

About 4-[7-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenylcarbazole

4-[7-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenylcarbazole (PubChem CID 170681025) has the molecular formula C54H36N4O and a molecular weight of 756.91 g/mol. Its IUPAC name is 4-[7-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[7-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenylcarbazole
PubChem CID170681025
Molecular FormulaC54H36N4O
Molecular Weight756.91 g/mol
Exact Mass756.29
IUPAC Name4-[7-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c45)n3)ccc21
InChIInChI=1S/C54H36N4O/c1-54(2)43-23-11-9-19-37(43)42-31-34(28-30-44(42)54)52-55-51(33-15-5-3-6-16-33)56-53(57-52)35-27-29-41-48(32-35)59-47-26-14-22-39(50(41)47)38-21-13-25-46-49(38)40-20-10-12-24-45(40)58(46)36-17-7-4-8-18-36/h3-32H,1-2H3
InChIKeyOEPWWWYUCDUNFQ-UHFFFAOYSA-N
XLogP13.84
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.91
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(9,9-dimethylfluoren-3-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 170681246
4-[2-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]phenyl]-9-phenylcarbazole
CID 170193088
11,11-dimethyl-5-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[1,2-b]carbazole
CID 169014548
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170681215
3-[4-(9,9-dimethylfluoren-4-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 170681002
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
2-(9,9-dimethylfluoren-3-yl)-4-[3-(9-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170681343
2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681282
9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-[3-(9,9-dimethylfluoren-3-yl)phenyl]carbazole
CID 142568449
2-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 168768795
2-[2-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170680833
2-dibenzofuran-3-yl-4-[3-(9,9-dimethylfluoren-3-yl)phenyl]-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170681220

Frequently Asked Questions

What is the IUPAC name of 4-[7-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenylcarbazole?
The IUPAC name of 4-[7-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenylcarbazole (CID 170681025) is 4-[7-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenylcarbazole.
What is the SMILES notation for 4-[7-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenylcarbazole?
The canonical SMILES for 4-[7-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenylcarbazole is CC1(C)c2ccccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c45)n3)ccc21.
What is the InChIKey of 4-[7-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenylcarbazole?
The InChIKey is OEPWWWYUCDUNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4O/c1-54(2)43-23-11-9-19-37(43)42-31-34(28-30-44(42)54)52-55-51(33-15-5-3-6-16-33)56-53(57-52)35-27-29-41-48(32-35)59-47-26-14-22-39(50(41)47)38-21-13-25-46-49(38)40-20-10-12-24-45(40)58(46)36-17-7-4-8-18-36/h3-32H,1-2H3.
What are the key properties of 4-[7-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenylcarbazole?
4-[7-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenylcarbazole has a molecular weight of 756.91 g/mol, XLogP of 13.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 170681025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).