2-(4-dibenzofuran-3-yl-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole

C55H40N4O — CID 156561488

IUPAC2-(4-dibenzofuran-3-yl-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5ccc6c(c5)-c5ccccc5C65C6CC7CC(C6)CC5C7)nc(-c5ccc6c(c5)oc5ccccc56)n4)cc32)cc1
InChIInChI=1S/C55H40N4O/c1-2-10-39(11-3-1)59-48-16-8-5-13-41(48)42-21-18-35(30-49(42)59)53-56-52(57-54(58-53)36-19-22-44-43-14-6-9-17-50(43)60-51(44)31-36)34-20-23-47-45(29-34)40-12-4-7-15-46(40)55(47)37-25-32-24-33(27-37)28-38(55)26-32/h1-23,29-33,37-38H,24-28H2
InChIKeyIQYFZVIUPXHQRV-UHFFFAOYSA-N
MW772.95 g/mol
LogP13.59
Rot. Bonds4

About 2-(4-dibenzofuran-3-yl-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole

2-(4-dibenzofuran-3-yl-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole (PubChem CID 156561488) has the molecular formula C55H40N4O and a molecular weight of 772.95 g/mol. Its IUPAC name is 2-(4-dibenzofuran-3-yl-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name2-(4-dibenzofuran-3-yl-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
PubChem CID156561488
Molecular FormulaC55H40N4O
Molecular Weight772.95 g/mol
Exact Mass772.32
IUPAC Name2-(4-dibenzofuran-3-yl-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5ccc6c(c5)-c5ccccc5C65C6CC7CC(C6)CC5C7)nc(-c5ccc6c(c5)oc5ccccc56)n4)cc32)cc1
InChIInChI=1S/C55H40N4O/c1-2-10-39(11-3-1)59-48-16-8-5-13-41(48)42-21-18-35(30-49(42)59)53-56-52(57-54(58-53)36-19-22-44-43-14-6-9-17-50(43)60-51(44)31-36)34-20-23-47-45(29-34)40-12-4-7-15-46(40)55(47)37-25-32-24-33(27-37)28-38(55)26-32/h1-23,29-33,37-38H,24-28H2
InChIKeyIQYFZVIUPXHQRV-UHFFFAOYSA-N
XLogP13.59
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.95
LogP ≤ 513.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-dibenzofuran-3-yl-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-[6-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)naphthalen-2-yl]carbazole;2-[2-[9-(4-naphthalen-2-ylphenyl)carbazol-2-yl]carbazol-9-yl]-9-phenyl-7-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 165110729
3-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 165034164
2-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(9,9-dimethyl-6-spiro[adamantane-2,9'-fluorene]-2'-ylfluoren-3-yl)carbazole;9-phenanthren-2-yl-2-[9-[4-(2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-9-yl)phenyl]carbazol-2-yl]carbazole
CID 165043063
2-(7'-dibenzofuran-3-ylspiro[adamantane-2,9'-fluorene]-2'-yl)-4,6-diphenyl-1,3,5-triazine
CID 168803617
3-[4-[4-[4-[4-(9,9-dimethylfluoren-4-yl)-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-spiro[adamantane-2,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 156561672
2-dibenzofuran-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;bis(2-dibenzofuran-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole);3-dibenzofuran-3-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 165104436
2-(4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534501
2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342798
9-(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
CID 156576999
9-(4-phenylphenyl)-2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 156577007
9-[4-[4-phenyl-6-[4-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 166018010
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl]-9-phenylcarbazole
CID 147889742

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-3-yl-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
The IUPAC name of 2-(4-dibenzofuran-3-yl-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole (CID 156561488) is 2-(4-dibenzofuran-3-yl-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole.
What is the SMILES notation for 2-(4-dibenzofuran-3-yl-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
The canonical SMILES for 2-(4-dibenzofuran-3-yl-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5ccc6c(c5)-c5ccccc5C65C6CC7CC(C6)CC5C7)nc(-c5ccc6c(c5)oc5ccccc56)n4)cc32)cc1.
What is the InChIKey of 2-(4-dibenzofuran-3-yl-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
The InChIKey is IQYFZVIUPXHQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N4O/c1-2-10-39(11-3-1)59-48-16-8-5-13-41(48)42-21-18-35(30-49(42)59)53-56-52(57-54(58-53)36-19-22-44-43-14-6-9-17-50(43)60-51(44)31-36)34-20-23-47-45(29-34)40-12-4-7-15-46(40)55(47)37-25-32-24-33(27-37)28-38(55)26-32/h1-23,29-33,37-38H,24-28H2.
What are the key properties of 2-(4-dibenzofuran-3-yl-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole?
2-(4-dibenzofuran-3-yl-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole has a molecular weight of 772.95 g/mol, XLogP of 13.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-3-yl-6-spiro[adamantane-2,9'-fluorene]-3'-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole is sourced from PubChem (CID 156561488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).