N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine

C47H34N4O — CID 58903538

IUPACN-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4nnc(-c5ccccc5)o4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C47H34N4O/c1-47(2)41-19-11-9-17-37(41)38-27-25-36(30-42(38)47)50(34-23-21-32(22-24-34)46-49-48-45(52-46)31-13-5-3-6-14-31)35-26-28-44-40(29-35)39-18-10-12-20-43(39)51(44)33-15-7-4-8-16-33/h3-30H,1-2H3
InChIKeyASTOEBGJJQOMHY-UHFFFAOYSA-N
MW670.82 g/mol
LogP12.28
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine

N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine (PubChem CID 58903538) has the molecular formula C47H34N4O and a molecular weight of 670.82 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine
PubChem CID58903538
Molecular FormulaC47H34N4O
Molecular Weight670.82 g/mol
Exact Mass670.27
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4nnc(-c5ccccc5)o4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21
InChIInChI=1S/C47H34N4O/c1-47(2)41-19-11-9-17-37(41)38-27-25-36(30-42(38)47)50(34-23-21-32(22-24-34)46-49-48-45(52-46)31-13-5-3-6-14-31)35-26-28-44-40(29-35)39-18-10-12-20-43(39)51(44)33-15-7-4-8-16-33/h3-30H,1-2H3
InChIKeyASTOEBGJJQOMHY-UHFFFAOYSA-N
XLogP12.28
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.82
LogP ≤ 512.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine (CID 58903538) is N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4nnc(-c5ccccc5)o4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine?
The InChIKey is ASTOEBGJJQOMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N4O/c1-47(2)41-19-11-9-17-37(41)38-27-25-36(30-42(38)47)50(34-23-21-32(22-24-34)46-49-48-45(52-46)31-13-5-3-6-14-31)35-26-28-44-40(29-35)39-18-10-12-20-43(39)51(44)33-15-7-4-8-16-33/h3-30H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine?
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine has a molecular weight of 670.82 g/mol, XLogP of 12.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine is sourced from PubChem (CID 58903538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).