5-(2,6-dipyridin-2-yl-4-pyridinyl)-11,11-dimethylspiro[benzo[b]carbazole-6,9'-fluorene]

C45H32N4 — CID 129264585

IUPAC5-(2,6-dipyridin-2-yl-4-pyridinyl)-11,11-dimethylspiro[benzo[b]carbazole-6,9'-fluorene]
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2c1c1ccccc1n2-c1cc(-c2ccccn2)nc(-c2ccccn2)c1
InChIInChI=1S/C45H32N4/c1-44(2)35-20-8-9-21-36(35)45(33-18-6-3-15-30(33)31-16-4-7-19-34(31)45)43-42(44)32-17-5-10-24-41(32)49(43)29-27-39(37-22-11-13-25-46-37)48-40(28-29)38-23-12-14-26-47-38/h3-28H,1-2H3
InChIKeyXTVCGEVZSRYHHB-UHFFFAOYSA-N
MW628.78 g/mol
LogP10.15
Rot. Bonds3

About 5-(2,6-dipyridin-2-yl-4-pyridinyl)-11,11-dimethylspiro[benzo[b]carbazole-6,9'-fluorene]

5-(2,6-dipyridin-2-yl-4-pyridinyl)-11,11-dimethylspiro[benzo[b]carbazole-6,9'-fluorene] (PubChem CID 129264585) has the molecular formula C45H32N4 and a molecular weight of 628.78 g/mol. Its IUPAC name is 5-(2,6-dipyridin-2-yl-4-pyridinyl)-11,11-dimethylspiro[benzo[b]carbazole-6,9'-fluorene].

Molecular Properties

Compound Name5-(2,6-dipyridin-2-yl-4-pyridinyl)-11,11-dimethylspiro[benzo[b]carbazole-6,9'-fluorene]
PubChem CID129264585
Molecular FormulaC45H32N4
Molecular Weight628.78 g/mol
Exact Mass628.26
IUPAC Name5-(2,6-dipyridin-2-yl-4-pyridinyl)-11,11-dimethylspiro[benzo[b]carbazole-6,9'-fluorene]
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2c1c1ccccc1n2-c1cc(-c2ccccn2)nc(-c2ccccn2)c1
InChIInChI=1S/C45H32N4/c1-44(2)35-20-8-9-21-36(35)45(33-18-6-3-15-30(33)31-16-4-7-19-34(31)45)43-42(44)32-17-5-10-24-41(32)49(43)29-27-39(37-22-11-13-25-46-37)48-40(28-29)38-23-12-14-26-47-38/h3-28H,1-2H3
InChIKeyXTVCGEVZSRYHHB-UHFFFAOYSA-N
XLogP10.15
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.78
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(2,6-dipyridin-2-yl-4-pyridinyl)-11,11-dimethylspiro[benzo[b]carbazole-6,9'-fluorene] with MolForge

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Related Compounds

3-(9,9-dimethylfluoren-1-yl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9-phenylcarbazole
CID 145327492
6-(9,9-dimethylfluoren-1-yl)-9-(3,5-diphenylphenyl)-2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]carbazole
CID 145327834
5-[6-(2,6-dipyridin-2-yl-4-pyridinyl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126628971
4-[9,9-dimethyl-7-(9,9'-spirobi[fluorene]-2-yl)fluoren-2-yl]-2,6-dipyridin-2-ylpyridine
CID 166685227
3,6-di(carbazol-9-yl)-9-[2-(4,6-dipyridin-2-ylpyrimidin-2-yl)phenyl]carbazole
CID 146654347
3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3-phenyl-5-pyridin-2-ylphenyl)carbazole
CID 118014196
5-[6-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)naphthalen-2-yl]-12,12-dimethylindeno[1,2-c]carbazole
CID 122548689
5'-phenyl-2-pyridin-2-ylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 90335745
9-(3-carbazol-9-ylphenyl)-3-pyridin-2-ylpyrido[3,4-b]indole
CID 139574913
10,10-dimethyl-5-pyrimidin-2-ylindeno[1,2-b]indole
CID 121298587
5,5,21,21-tetramethyl-3,19-dipyridin-2-yl-1,17-diazanonacyclo[20.10.1.16,10.02,20.04,18.011,16.026,33.027,32.017,34]tetratriaconta-2(20),3,6,8,10(34),11,13,15,18,22,24,26(33),27,29,31-pentadecaene
CID 126682600
9-(2,6-dipyridin-2-yl-4-pyridinyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19)-octaene
CID 145322029

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dipyridin-2-yl-4-pyridinyl)-11,11-dimethylspiro[benzo[b]carbazole-6,9'-fluorene]?
The IUPAC name of 5-(2,6-dipyridin-2-yl-4-pyridinyl)-11,11-dimethylspiro[benzo[b]carbazole-6,9'-fluorene] (CID 129264585) is 5-(2,6-dipyridin-2-yl-4-pyridinyl)-11,11-dimethylspiro[benzo[b]carbazole-6,9'-fluorene].
What is the SMILES notation for 5-(2,6-dipyridin-2-yl-4-pyridinyl)-11,11-dimethylspiro[benzo[b]carbazole-6,9'-fluorene]?
The canonical SMILES for 5-(2,6-dipyridin-2-yl-4-pyridinyl)-11,11-dimethylspiro[benzo[b]carbazole-6,9'-fluorene] is CC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2c1c1ccccc1n2-c1cc(-c2ccccn2)nc(-c2ccccn2)c1.
What is the InChIKey of 5-(2,6-dipyridin-2-yl-4-pyridinyl)-11,11-dimethylspiro[benzo[b]carbazole-6,9'-fluorene]?
The InChIKey is XTVCGEVZSRYHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N4/c1-44(2)35-20-8-9-21-36(35)45(33-18-6-3-15-30(33)31-16-4-7-19-34(31)45)43-42(44)32-17-5-10-24-41(32)49(43)29-27-39(37-22-11-13-25-46-37)48-40(28-29)38-23-12-14-26-47-38/h3-28H,1-2H3.
What are the key properties of 5-(2,6-dipyridin-2-yl-4-pyridinyl)-11,11-dimethylspiro[benzo[b]carbazole-6,9'-fluorene]?
5-(2,6-dipyridin-2-yl-4-pyridinyl)-11,11-dimethylspiro[benzo[b]carbazole-6,9'-fluorene] has a molecular weight of 628.78 g/mol, XLogP of 10.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dipyridin-2-yl-4-pyridinyl)-11,11-dimethylspiro[benzo[b]carbazole-6,9'-fluorene] is sourced from PubChem (CID 129264585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).