(1R,8S)-10-(2,3,4,5,6-pentadeuteriophenyl)-12-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-10,12-diazatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene

C41H32N4O — CID 162503352

IUPAC(1R,8S)-10-(2,3,4,5,6-pentadeuteriophenyl)-12-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-10,12-diazatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene
SMILES[2H]c1c([2H])c([2H])c(N2CN(c3cccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)c3)C3C2[C@H]2C[C@@H]3c3ccccc32)c([2H])c1[2H]
InChIInChI=1S/C41H32N4O/c1-2-11-27(12-3-1)43-26-44(41-36-25-35(40(41)43)31-15-4-5-16-32(31)36)28-13-10-14-29(23-28)46-30-20-21-34-33-17-6-7-18-37(33)45(38(34)24-30)39-19-8-9-22-42-39/h1-24,35-36,40-41H,25-26H2/t35-,36+,40?,41?/m0/s1/i1D,2D,3D,11D,12D
InChIKeyRKCMXJLUZNYSAF-QDWWIHIASA-N
MW601.76 g/mol
LogP9.28
Rot. Bonds5

About (1R,8S)-10-(2,3,4,5,6-pentadeuteriophenyl)-12-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-10,12-diazatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene

(1R,8S)-10-(2,3,4,5,6-pentadeuteriophenyl)-12-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-10,12-diazatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene (PubChem CID 162503352) has the molecular formula C41H32N4O and a molecular weight of 601.76 g/mol. Its IUPAC name is (1R,8S)-10-(2,3,4,5,6-pentadeuteriophenyl)-12-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-10,12-diazatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene.

Molecular Properties

Compound Name(1R,8S)-10-(2,3,4,5,6-pentadeuteriophenyl)-12-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-10,12-diazatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene
PubChem CID162503352
Molecular FormulaC41H32N4O
Molecular Weight601.76 g/mol
Exact Mass601.29
IUPAC Name(1R,8S)-10-(2,3,4,5,6-pentadeuteriophenyl)-12-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-10,12-diazatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene
SMILES[2H]c1c([2H])c([2H])c(N2CN(c3cccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)c3)C3C2[C@H]2C[C@@H]3c3ccccc32)c([2H])c1[2H]
InChIInChI=1S/C41H32N4O/c1-2-11-27(12-3-1)43-26-44(41-36-25-35(40(41)43)31-15-4-5-16-32(31)36)28-13-10-14-29(23-28)46-30-20-21-34-33-17-6-7-18-37(33)45(38(34)24-30)39-19-8-9-22-42-39/h1-24,35-36,40-41H,25-26H2/t35-,36+,40?,41?/m0/s1/i1D,2D,3D,11D,12D
InChIKeyRKCMXJLUZNYSAF-QDWWIHIASA-N
XLogP9.28
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.76
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1R,8S)-10-(2,3,4,5,6-pentadeuteriophenyl)-12-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-10,12-diazatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,8S)-10-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-12-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-10,12-diazatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene
CID 162503334
2-[3-[(1S,2S)-8,9-dimethyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3,5-diazatricyclo[5.2.1.02,6]decan-3-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 162503425
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140794986
2-[3-tert-butyl-5-[(1S,2S)-8,9-dimethyl-5-(2,3,4,5,6-pentadeuteriophenyl)-3,5-diazatricyclo[5.2.1.02,6]decan-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 162503388
22-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-20,22-diazahexacyclo[18.6.1.02,7.08,13.014,19.023,27]heptacosa-1(27),2,4,6,8,10,12,14,16,18,23,25-dodecaene
CID 176821515
2-[3-[(1R,2S)-5-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-3,5-diazatricyclo[5.2.1.02,6]decan-3-yl]phenoxy]-9-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]carbazole
CID 162503358
2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 155651623
9-pyridin-2-yl-2-[3-(3,5,6-trimethyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 155606671
2-(3-indazol-2-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140730409
1-methyl-3-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-2H-benzo[e]benzimidazole
CID 164731668
2-[3-[4-(4-methylphenyl)-3H-1,2,4-triazol-2-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 159315592

Frequently Asked Questions

What is the IUPAC name of (1R,8S)-10-(2,3,4,5,6-pentadeuteriophenyl)-12-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-10,12-diazatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene?
The IUPAC name of (1R,8S)-10-(2,3,4,5,6-pentadeuteriophenyl)-12-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-10,12-diazatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene (CID 162503352) is (1R,8S)-10-(2,3,4,5,6-pentadeuteriophenyl)-12-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-10,12-diazatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene.
What is the SMILES notation for (1R,8S)-10-(2,3,4,5,6-pentadeuteriophenyl)-12-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-10,12-diazatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene?
The canonical SMILES for (1R,8S)-10-(2,3,4,5,6-pentadeuteriophenyl)-12-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-10,12-diazatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene is [2H]c1c([2H])c([2H])c(N2CN(c3cccc(Oc4ccc5c6ccccc6n(-c6ccccn6)c5c4)c3)C3C2[C@H]2C[C@@H]3c3ccccc32)c([2H])c1[2H].
What is the InChIKey of (1R,8S)-10-(2,3,4,5,6-pentadeuteriophenyl)-12-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-10,12-diazatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene?
The InChIKey is RKCMXJLUZNYSAF-QDWWIHIASA-N. The full InChI is InChI=1S/C41H32N4O/c1-2-11-27(12-3-1)43-26-44(41-36-25-35(40(41)43)31-15-4-5-16-32(31)36)28-13-10-14-29(23-28)46-30-20-21-34-33-17-6-7-18-37(33)45(38(34)24-30)39-19-8-9-22-42-39/h1-24,35-36,40-41H,25-26H2/t35-,36+,40?,41?/m0/s1/i1D,2D,3D,11D,12D.
What are the key properties of (1R,8S)-10-(2,3,4,5,6-pentadeuteriophenyl)-12-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-10,12-diazatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene?
(1R,8S)-10-(2,3,4,5,6-pentadeuteriophenyl)-12-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-10,12-diazatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene has a molecular weight of 601.76 g/mol, XLogP of 9.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-10-(2,3,4,5,6-pentadeuteriophenyl)-12-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-10,12-diazatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene is sourced from PubChem (CID 162503352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).