12-[2-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-a]carbazole

C54H36N4O — CID 164953799

IUPAC12-[2-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-n4c5ccccc5c5ccc6oc7c(-c8ccccc8)cccc7c6c54)n3)cc21
InChIInChI=1S/C54H36N4O/c1-54(2)43-25-12-9-20-37(43)38-29-28-35(32-44(38)54)52-55-51(34-18-7-4-8-19-34)56-53(57-52)41-22-11-14-27-46(41)58-45-26-13-10-21-39(45)40-30-31-47-48(49(40)58)42-24-15-23-36(50(42)59-47)33-16-5-3-6-17-33/h3-32H,1-2H3
InChIKeyMSPFIRQOIWANFP-UHFFFAOYSA-N
MW756.91 g/mol
LogP13.84
Rot. Bonds5

About 12-[2-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-a]carbazole

12-[2-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-a]carbazole (PubChem CID 164953799) has the molecular formula C54H36N4O and a molecular weight of 756.91 g/mol. Its IUPAC name is 12-[2-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name12-[2-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-a]carbazole
PubChem CID164953799
Molecular FormulaC54H36N4O
Molecular Weight756.91 g/mol
Exact Mass756.29
IUPAC Name12-[2-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-n4c5ccccc5c5ccc6oc7c(-c8ccccc8)cccc7c6c54)n3)cc21
InChIInChI=1S/C54H36N4O/c1-54(2)43-25-12-9-20-37(43)38-29-28-35(32-44(38)54)52-55-51(34-18-7-4-8-19-34)56-53(57-52)41-22-11-14-27-46(41)58-45-26-13-10-21-39(45)40-30-31-47-48(49(40)58)42-24-15-23-36(50(42)59-47)33-16-5-3-6-17-33/h3-32H,1-2H3
InChIKeyMSPFIRQOIWANFP-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

1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(8-phenyldibenzofuran-4-yl)carbazole
CID 170080363
1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-1-yl)carbazole
CID 170080056
3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(6-phenyldibenzofuran-2-yl)carbazole
CID 170080701
12-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165638
9-[9-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 165076311
2-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166953318
12-(9,9-dimethylfluoren-1-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 146761337
9-[9-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-4-phenylcarbazole;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2,6-diphenylcarbazole;9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-4-phenylcarbazole;9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-4-phenylcarbazole
CID 161474330
4-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 164705596
12-[2-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 164932814
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
11-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12,12-dimethylindeno[2,1-a]carbazole
CID 126628967

Frequently Asked Questions

What is the IUPAC name of 12-[2-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 12-[2-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-a]carbazole (CID 164953799) is 12-[2-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 12-[2-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 12-[2-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-a]carbazole is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4-n4c5ccccc5c5ccc6oc7c(-c8ccccc8)cccc7c6c54)n3)cc21.
What is the InChIKey of 12-[2-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-a]carbazole?
The InChIKey is MSPFIRQOIWANFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4O/c1-54(2)43-25-12-9-20-37(43)38-29-28-35(32-44(38)54)52-55-51(34-18-7-4-8-19-34)56-53(57-52)41-22-11-14-27-46(41)58-45-26-13-10-21-39(45)40-30-31-47-48(49(40)58)42-24-15-23-36(50(42)59-47)33-16-5-3-6-17-33/h3-32H,1-2H3.
What are the key properties of 12-[2-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-a]carbazole?
12-[2-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-a]carbazole 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 12-[2-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 164953799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).