3-N,3-N,6-N,6-N-tetramethyl-9-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazole-3,6-diamine

C30H27N5O — CID 122432622

IUPAC3-N,3-N,6-N,6-N-tetramethyl-9-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazole-3,6-diamine
SMILESCN(C)c1ccc2c(c1)c1cc(N(C)C)ccc1n2-c1ccccc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C30H27N5O/c1-33(2)21-14-16-27-24(18-21)25-19-22(34(3)4)15-17-28(25)35(27)26-13-9-8-12-23(26)30-32-31-29(36-30)20-10-6-5-7-11-20/h5-19H,1-4H3
InChIKeyBIHRBRUJSRJITG-UHFFFAOYSA-N
MW473.58 g/mol
LogP6.63
Rot. Bonds5

About 3-N,3-N,6-N,6-N-tetramethyl-9-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazole-3,6-diamine

3-N,3-N,6-N,6-N-tetramethyl-9-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazole-3,6-diamine (PubChem CID 122432622) has the molecular formula C30H27N5O and a molecular weight of 473.58 g/mol. Its IUPAC name is 3-N,3-N,6-N,6-N-tetramethyl-9-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazole-3,6-diamine.

Molecular Properties

Compound Name3-N,3-N,6-N,6-N-tetramethyl-9-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazole-3,6-diamine
PubChem CID122432622
Molecular FormulaC30H27N5O
Molecular Weight473.58 g/mol
Exact Mass473.22
IUPAC Name3-N,3-N,6-N,6-N-tetramethyl-9-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazole-3,6-diamine
SMILESCN(C)c1ccc2c(c1)c1cc(N(C)C)ccc1n2-c1ccccc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C30H27N5O/c1-33(2)21-14-16-27-24(18-21)25-19-22(34(3)4)15-17-28(25)35(27)26-13-9-8-12-23(26)30-32-31-29(36-30)20-10-6-5-7-11-20/h5-19H,1-4H3
InChIKeyBIHRBRUJSRJITG-UHFFFAOYSA-N
XLogP6.63
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[2-[5-[2-[3,6-bis(dimethylamino)carbazol-9-yl]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-3-N,3-N,6-N,6-N-tetramethylcarbazole-3,6-diamine
CID 145125471
2-phenyl-5-[2-[5-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]indolo[3,2-b]carbazol-11-yl]phenyl]-1,3,4-oxadiazole
CID 122432868
2-[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole;2-[2-(3,6-diethylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 158447388
2-[2,6-bis(3,6-dimethoxycarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 122432555
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 164936474
9-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(3-phenylphenyl)carbazol-3-amine
CID 58903542
N,9-diphenyl-N-[4-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]carbazol-3-amine
CID 58903714
2-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59445184
2-phenyl-5-[3,10,11-tris(5-phenyl-1,3,4-oxadiazol-2-yl)tetraphenylen-2-yl]-1,3,4-oxadiazole
CID 59855596
2-naphthalen-1-yl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-1,3,4-oxadiazole
CID 59445216
2-phenyl-5-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-1,3,4-oxadiazole
CID 59489385
3-N,3-N,6-N,6-N-tetraphenyl-9-[2-[4-(6-phenyl-2-pyridinyl)phenyl]phenyl]carbazole-3,6-diamine
CID 138675153

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,6-N,6-N-tetramethyl-9-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazole-3,6-diamine?
The IUPAC name of 3-N,3-N,6-N,6-N-tetramethyl-9-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazole-3,6-diamine (CID 122432622) is 3-N,3-N,6-N,6-N-tetramethyl-9-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazole-3,6-diamine.
What is the SMILES notation for 3-N,3-N,6-N,6-N-tetramethyl-9-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazole-3,6-diamine?
The canonical SMILES for 3-N,3-N,6-N,6-N-tetramethyl-9-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazole-3,6-diamine is CN(C)c1ccc2c(c1)c1cc(N(C)C)ccc1n2-c1ccccc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of 3-N,3-N,6-N,6-N-tetramethyl-9-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazole-3,6-diamine?
The InChIKey is BIHRBRUJSRJITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O/c1-33(2)21-14-16-27-24(18-21)25-19-22(34(3)4)15-17-28(25)35(27)26-13-9-8-12-23(26)30-32-31-29(36-30)20-10-6-5-7-11-20/h5-19H,1-4H3.
What are the key properties of 3-N,3-N,6-N,6-N-tetramethyl-9-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazole-3,6-diamine?
3-N,3-N,6-N,6-N-tetramethyl-9-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazole-3,6-diamine has a molecular weight of 473.58 g/mol, XLogP of 6.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,6-N,6-N-tetramethyl-9-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbazole-3,6-diamine is sourced from PubChem (CID 122432622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).