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

C54H38N4O — CID 142364546

IUPAC3-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-1-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(C4=CC=CC5c6c(cccc6-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)OC45)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C54H38N4O/c1-54(2)44-24-11-9-19-38(44)39-29-27-35(32-45(39)54)52-55-51(33-15-5-3-6-16-33)56-53(57-52)42-23-13-22-41-49-37(21-14-26-48(49)59-50(41)42)34-28-30-47-43(31-34)40-20-10-12-25-46(40)58(47)36-17-7-4-8-18-36/h3-32,41,50H,1-2H3
InChIKeyKJOREHMUQSCYAC-UHFFFAOYSA-N
MW758.93 g/mol
LogP12.77
Rot. Bonds5

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

3-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-1-yl]-9-phenylcarbazole (PubChem CID 142364546) has the molecular formula C54H38N4O and a molecular weight of 758.93 g/mol. Its IUPAC name is 3-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-1-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-1-yl]-9-phenylcarbazole
PubChem CID142364546
Molecular FormulaC54H38N4O
Molecular Weight758.93 g/mol
Exact Mass758.30
IUPAC Name3-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-1-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(C4=CC=CC5c6c(cccc6-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)OC45)nc(-c4ccccc4)n3)cc21
InChIInChI=1S/C54H38N4O/c1-54(2)44-24-11-9-19-38(44)39-29-27-35(32-45(39)54)52-55-51(33-15-5-3-6-16-33)56-53(57-52)42-23-13-22-41-49-37(21-14-26-48(49)59-50(41)42)34-28-30-47-43(31-34)40-20-10-12-25-46(40)58(47)36-17-7-4-8-18-36/h3-32,41,50H,1-2H3
InChIKeyKJOREHMUQSCYAC-UHFFFAOYSA-N
XLogP12.77
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.93
LogP ≤ 512.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-1-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

2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 157062931
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983
1-(9,9-dimethylfluoren-2-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147949558
3-carbazol-9-yl-9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 147106335
3-(9,9-dimethylfluoren-2-yl)-9-phenyl-6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 145327687
3-[4-(3-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]-9-phenylcarbazole
CID 67678402
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-(9,9-dimethylfluoren-2-yl)carbazole;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-9-phenylcarbazole;1-(9-phenylcarbazol-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 157295181
2-[4-(9,9-dimethylfluoren-2-yl)-6-[3-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 137402190
3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236852
2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-8-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 66797829
7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 130209432
3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-9-(4-methylphenyl)carbazole
CID 137401866

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-1-yl]-9-phenylcarbazole?
The IUPAC name of 3-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-1-yl]-9-phenylcarbazole (CID 142364546) is 3-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-1-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-1-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-1-yl]-9-phenylcarbazole is CC1(C)c2ccccc2-c2ccc(-c3nc(C4=CC=CC5c6c(cccc6-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)OC45)nc(-c4ccccc4)n3)cc21.
What is the InChIKey of 3-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-1-yl]-9-phenylcarbazole?
The InChIKey is KJOREHMUQSCYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N4O/c1-54(2)44-24-11-9-19-38(44)39-29-27-35(32-45(39)54)52-55-51(33-15-5-3-6-16-33)56-53(57-52)42-23-13-22-41-49-37(21-14-26-48(49)59-50(41)42)34-28-30-47-43(31-34)40-20-10-12-25-46(40)58(47)36-17-7-4-8-18-36/h3-32,41,50H,1-2H3.
What are the key properties of 3-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-1-yl]-9-phenylcarbazole?
3-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-1-yl]-9-phenylcarbazole has a molecular weight of 758.93 g/mol, XLogP of 12.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5a,9a-dihydrodibenzofuran-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 142364546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).