N-(9,9-dimethylxanthen-3-yl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine

C44H33N3O — CID 126681169

IUPACN-(9,9-dimethylxanthen-3-yl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine
SMILESCC1(C)c2ccccc2Oc2cc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc3)ccc21
InChIInChI=1S/C44H33N3O/c1-44(2)37-18-10-12-20-42(37)48-43-28-33(22-24-38(43)44)46(31-13-5-3-6-14-31)34-23-25-39(45-29-34)30-21-26-41-36(27-30)35-17-9-11-19-40(35)47(41)32-15-7-4-8-16-32/h3-29H,1-2H3
InChIKeyGMYYXSOWUONYJS-UHFFFAOYSA-N
MW619.77 g/mol
LogP11.75
Rot. Bonds5

About N-(9,9-dimethylxanthen-3-yl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine

N-(9,9-dimethylxanthen-3-yl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine (PubChem CID 126681169) has the molecular formula C44H33N3O and a molecular weight of 619.77 g/mol. Its IUPAC name is N-(9,9-dimethylxanthen-3-yl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylxanthen-3-yl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine
PubChem CID126681169
Molecular FormulaC44H33N3O
Molecular Weight619.77 g/mol
Exact Mass619.26
IUPAC NameN-(9,9-dimethylxanthen-3-yl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine
SMILESCC1(C)c2ccccc2Oc2cc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc3)ccc21
InChIInChI=1S/C44H33N3O/c1-44(2)37-18-10-12-20-42(37)48-43-28-33(22-24-38(43)44)46(31-13-5-3-6-14-31)34-23-25-39(45-29-34)30-21-26-41-36(27-30)35-17-9-11-19-40(35)47(41)32-15-7-4-8-16-32/h3-29H,1-2H3
InChIKeyGMYYXSOWUONYJS-UHFFFAOYSA-N
XLogP11.75
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.77
LogP ≤ 511.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylxanthen-3-yl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine?
The IUPAC name of N-(9,9-dimethylxanthen-3-yl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine (CID 126681169) is N-(9,9-dimethylxanthen-3-yl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine.
What is the SMILES notation for N-(9,9-dimethylxanthen-3-yl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine?
The canonical SMILES for N-(9,9-dimethylxanthen-3-yl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine is CC1(C)c2ccccc2Oc2cc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc3)ccc21.
What is the InChIKey of N-(9,9-dimethylxanthen-3-yl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine?
The InChIKey is GMYYXSOWUONYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H33N3O/c1-44(2)37-18-10-12-20-42(37)48-43-28-33(22-24-38(43)44)46(31-13-5-3-6-14-31)34-23-25-39(45-29-34)30-21-26-41-36(27-30)35-17-9-11-19-40(35)47(41)32-15-7-4-8-16-32/h3-29H,1-2H3.
What are the key properties of N-(9,9-dimethylxanthen-3-yl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine?
N-(9,9-dimethylxanthen-3-yl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine has a molecular weight of 619.77 g/mol, XLogP of 11.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylxanthen-3-yl)-N-phenyl-6-(9-phenylcarbazol-3-yl)pyridin-3-amine is sourced from PubChem (CID 126681169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).