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

C42H30FN3O — CID 71174855

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-1,3-oxazol-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(F)cc4)cc3)c3cnco3)cc21
InChIInChI=1S/C42H30FN3O/c1-42(2)37-9-5-3-7-33(37)34-21-20-32(24-38(34)42)45(41-25-44-26-47-41)30-16-11-27(12-17-30)28-13-22-40-36(23-28)35-8-4-6-10-39(35)46(40)31-18-14-29(43)15-19-31/h3-26H,1-2H3
InChIKeyFCRANKVRVYNGPX-UHFFFAOYSA-N
MW611.72 g/mol
LogP11.35
Rot. Bonds5

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

N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-1,3-oxazol-5-amine (PubChem CID 71174855) has the molecular formula C42H30FN3O and a molecular weight of 611.72 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-1,3-oxazol-5-amine
PubChem CID71174855
Molecular FormulaC42H30FN3O
Molecular Weight611.72 g/mol
Exact Mass611.24
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-1,3-oxazol-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(F)cc4)cc3)c3cnco3)cc21
InChIInChI=1S/C42H30FN3O/c1-42(2)37-9-5-3-7-33(37)34-21-20-32(24-38(34)42)45(41-25-44-26-47-41)30-16-11-27(12-17-30)28-13-22-40-36(23-28)35-8-4-6-10-39(35)46(40)31-18-14-29(43)15-19-31/h3-26H,1-2H3
InChIKeyFCRANKVRVYNGPX-UHFFFAOYSA-N
XLogP11.35
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.72
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-1,3-oxazol-5-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-1,3-oxazol-5-amine (CID 71174855) is N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-1,3-oxazol-5-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-1,3-oxazol-5-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-1,3-oxazol-5-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(F)cc4)cc3)c3cnco3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-1,3-oxazol-5-amine?
The InChIKey is FCRANKVRVYNGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30FN3O/c1-42(2)37-9-5-3-7-33(37)34-21-20-32(24-38(34)42)45(41-25-44-26-47-41)30-16-11-27(12-17-30)28-13-22-40-36(23-28)35-8-4-6-10-39(35)46(40)31-18-14-29(43)15-19-31/h3-26H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-1,3-oxazol-5-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-1,3-oxazol-5-amine has a molecular weight of 611.72 g/mol, XLogP of 11.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-1,3-oxazol-5-amine is sourced from PubChem (CID 71174855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).