N,6,9-triphenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine

C44H30N4O — CID 58903551

IUPACN,6,9-triphenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine
SMILESc1ccc(-c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccc(-c5nnc(-c6ccccc6)o5)cc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C44H30N4O/c1-5-13-31(14-6-1)34-23-27-41-39(29-34)40-30-38(26-28-42(40)48(41)36-19-11-4-12-20-36)47(35-17-9-3-10-18-35)37-24-21-33(22-25-37)44-46-45-43(49-44)32-15-7-2-8-16-32/h1-30H
InChIKeyBNVOOUWZRCKBBB-UHFFFAOYSA-N
MW630.75 g/mol
LogP11.64
Rot. Bonds7

About N,6,9-triphenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine

N,6,9-triphenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine (PubChem CID 58903551) has the molecular formula C44H30N4O and a molecular weight of 630.75 g/mol. Its IUPAC name is N,6,9-triphenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine.

Molecular Properties

Compound NameN,6,9-triphenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine
PubChem CID58903551
Molecular FormulaC44H30N4O
Molecular Weight630.75 g/mol
Exact Mass630.24
IUPAC NameN,6,9-triphenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine
SMILESc1ccc(-c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccc(-c5nnc(-c6ccccc6)o5)cc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C44H30N4O/c1-5-13-31(14-6-1)34-23-27-41-39(29-34)40-30-38(26-28-42(40)48(41)36-19-11-4-12-20-36)47(35-17-9-3-10-18-35)37-24-21-33(22-25-37)44-46-45-43(49-44)32-15-7-2-8-16-32/h1-30H
InChIKeyBNVOOUWZRCKBBB-UHFFFAOYSA-N
XLogP11.64
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.75
LogP ≤ 511.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,6,9-triphenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine?
The IUPAC name of N,6,9-triphenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine (CID 58903551) is N,6,9-triphenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine.
What is the SMILES notation for N,6,9-triphenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine?
The canonical SMILES for N,6,9-triphenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine is c1ccc(-c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccc(-c5nnc(-c6ccccc6)o5)cc4)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of N,6,9-triphenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine?
The InChIKey is BNVOOUWZRCKBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4O/c1-5-13-31(14-6-1)34-23-27-41-39(29-34)40-30-38(26-28-42(40)48(41)36-19-11-4-12-20-36)47(35-17-9-3-10-18-35)37-24-21-33(22-25-37)44-46-45-43(49-44)32-15-7-2-8-16-32/h1-30H.
What are the key properties of N,6,9-triphenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine?
N,6,9-triphenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine has a molecular weight of 630.75 g/mol, XLogP of 11.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6,9-triphenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazol-3-amine is sourced from PubChem (CID 58903551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).