2-(2-carbazol-9-yl-3-pyridinyl)propan-2-ol;carbon dioxide;9-(3-methyl-2-pyridinyl)carbazole

C39H32N4O3 — CID 158628180

IUPAC2-(2-carbazol-9-yl-3-pyridinyl)propan-2-ol;carbon dioxide;9-(3-methyl-2-pyridinyl)carbazole
SMILESCC(C)(O)c1cccnc1-n1c2ccccc2c2ccccc21.Cc1cccnc1-n1c2ccccc2c2ccccc21.O=C=O
InChIInChI=1S/C20H18N2O.C18H14N2.CO2/c1-20(2,23)16-10-7-13-21-19(16)22-17-11-5-3-8-14(17)15-9-4-6-12-18(15)22;1-13-7-6-12-19-18(13)20-16-10-4-2-8-14(16)15-9-3-5-11-17(15)20;2-1-3/h3-13,23H,1-2H3;2-12H,1H3;
InChIKeyHYVYPWVQTPFLBO-UHFFFAOYSA-N
MW604.71 g/mol
LogP8.31
Rot. Bonds3

About 2-(2-carbazol-9-yl-3-pyridinyl)propan-2-ol;carbon dioxide;9-(3-methyl-2-pyridinyl)carbazole

2-(2-carbazol-9-yl-3-pyridinyl)propan-2-ol;carbon dioxide;9-(3-methyl-2-pyridinyl)carbazole (PubChem CID 158628180) has the molecular formula C39H32N4O3 and a molecular weight of 604.71 g/mol. Its IUPAC name is 2-(2-carbazol-9-yl-3-pyridinyl)propan-2-ol;carbon dioxide;9-(3-methyl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-(2-carbazol-9-yl-3-pyridinyl)propan-2-ol;carbon dioxide;9-(3-methyl-2-pyridinyl)carbazole
PubChem CID158628180
Molecular FormulaC39H32N4O3
Molecular Weight604.71 g/mol
Exact Mass604.25
IUPAC Name2-(2-carbazol-9-yl-3-pyridinyl)propan-2-ol;carbon dioxide;9-(3-methyl-2-pyridinyl)carbazole
SMILESCC(C)(O)c1cccnc1-n1c2ccccc2c2ccccc21.Cc1cccnc1-n1c2ccccc2c2ccccc21.O=C=O
InChIInChI=1S/C20H18N2O.C18H14N2.CO2/c1-20(2,23)16-10-7-13-21-19(16)22-17-11-5-3-8-14(17)15-9-4-6-12-18(15)22;1-13-7-6-12-19-18(13)20-16-10-4-2-8-14(16)15-9-3-5-11-17(15)20;2-1-3/h3-13,23H,1-2H3;2-12H,1H3;
InChIKeyHYVYPWVQTPFLBO-UHFFFAOYSA-N
XLogP8.31
TPSA90.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.71
LogP ≤ 58.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,8-Diphenyl-9-pyridin-2-ylcarbazole
CID 139108209
(3R)-3-methyl-2-(3-methylindol-1-yl)indol-3-ol
CID 168339400
1-(1-Methylindol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
CID 16673455
8-[5-(2-Hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-1-(2-methyl-6-pyrrolidin-1-yl-3-pyridinyl)imidazo[4,5-c]quinolin-2-one
CID 49832398
9-[3-(2-Carbazol-9-yl-3-pyridinyl)-2-pyridinyl]carbazole
CID 57548827
9-[5-[(Z)-2-(6-carbazol-9-yl-3-pyridinyl)-1,2-diphenylethenyl]-2-pyridinyl]carbazole
CID 57976936
9-[5-(6-Carbazol-9-yl-3-pyridinyl)-2-pyridinyl]carbazole
CID 59449580
6-[4-[[3-(1-Methylindol-3-yl)pyrrolidin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 59556299
1-(14-Methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)-2-pyridin-3-ylpropan-2-ol
CID 60196977
4-Hydroxy-4-[4-[12-methyl-5-(2-methylphenyl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-10-yl]phenyl]piperidine-1-carboxylic acid
CID 67377948
2-[2-(3-Bromocarbazol-9-yl)-3-pyridinyl]propan-2-ol
CID 68203627
1-[1-(4,5-Dichloro-2-methylimidazol-1-yl)butyl]-2-(2-fluorophenyl)piperidine-4,4-diol;1-(4-indol-1-ylbutyl)-4-phenylpiperidin-4-ol
CID 69588272

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbazol-9-yl-3-pyridinyl)propan-2-ol;carbon dioxide;9-(3-methyl-2-pyridinyl)carbazole?
The IUPAC name of 2-(2-carbazol-9-yl-3-pyridinyl)propan-2-ol;carbon dioxide;9-(3-methyl-2-pyridinyl)carbazole (CID 158628180) is 2-(2-carbazol-9-yl-3-pyridinyl)propan-2-ol;carbon dioxide;9-(3-methyl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-(2-carbazol-9-yl-3-pyridinyl)propan-2-ol;carbon dioxide;9-(3-methyl-2-pyridinyl)carbazole?
The canonical SMILES for 2-(2-carbazol-9-yl-3-pyridinyl)propan-2-ol;carbon dioxide;9-(3-methyl-2-pyridinyl)carbazole is CC(C)(O)c1cccnc1-n1c2ccccc2c2ccccc21.Cc1cccnc1-n1c2ccccc2c2ccccc21.O=C=O.
What is the InChIKey of 2-(2-carbazol-9-yl-3-pyridinyl)propan-2-ol;carbon dioxide;9-(3-methyl-2-pyridinyl)carbazole?
The InChIKey is HYVYPWVQTPFLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O.C18H14N2.CO2/c1-20(2,23)16-10-7-13-21-19(16)22-17-11-5-3-8-14(17)15-9-4-6-12-18(15)22;1-13-7-6-12-19-18(13)20-16-10-4-2-8-14(16)15-9-3-5-11-17(15)20;2-1-3/h3-13,23H,1-2H3;2-12H,1H3;.
What are the key properties of 2-(2-carbazol-9-yl-3-pyridinyl)propan-2-ol;carbon dioxide;9-(3-methyl-2-pyridinyl)carbazole?
2-(2-carbazol-9-yl-3-pyridinyl)propan-2-ol;carbon dioxide;9-(3-methyl-2-pyridinyl)carbazole has a molecular weight of 604.71 g/mol, XLogP of 8.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbazol-9-yl-3-pyridinyl)propan-2-ol;carbon dioxide;9-(3-methyl-2-pyridinyl)carbazole is sourced from PubChem (CID 158628180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).