methane;2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole;3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole

C67H64N8O — CID 159118177

IUPACmethane;2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole;3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole
SMILESC.C.c1cncc(C2(c3ccc(-c4c5c(nn4C4CCCCO4)CCCC5)nc3)c3ccccc3-c3ccccc32)c1.c1cncc(C2(c3ccc(-c4n[nH]c5c4CCCC5)nc3)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C35H32N4O.C30H24N4.2CH4/c1-4-14-29-26(11-1)27-12-2-5-15-30(27)35(29,24-10-9-20-36-22-24)25-18-19-32(37-23-25)34-28-13-3-6-16-31(28)38-39(34)33-17-7-8-21-40-33;1-4-12-25-22(9-1)23-10-2-5-13-26(23)30(25,20-8-7-17-31-18-20)21-15-16-28(32-19-21)29-24-11-3-6-14-27(24)33-34-29;;/h1-2,4-5,9-12,14-15,18-20,22-23,33H,3,6-8,13,16-17,21H2;1-2,4-5,7-10,12-13,15-19H,3,6,11,14H2,(H,33,34);2*1H4
InChIKeyKFIQTSQAJLWOHT-UHFFFAOYSA-N
MW997.30 g/mol
LogP14.66
Rot. Bonds7

About methane;2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole;3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole

methane;2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole;3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 159118177) has the molecular formula C67H64N8O and a molecular weight of 997.30 g/mol. Its IUPAC name is methane;2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole;3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Namemethane;2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole;3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole
PubChem CID159118177
Molecular FormulaC67H64N8O
Molecular Weight997.30 g/mol
Exact Mass996.52
IUPAC Namemethane;2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole;3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole
SMILESC.C.c1cncc(C2(c3ccc(-c4c5c(nn4C4CCCCO4)CCCC5)nc3)c3ccccc3-c3ccccc32)c1.c1cncc(C2(c3ccc(-c4n[nH]c5c4CCCC5)nc3)c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C35H32N4O.C30H24N4.2CH4/c1-4-14-29-26(11-1)27-12-2-5-15-30(27)35(29,24-10-9-20-36-22-24)25-18-19-32(37-23-25)34-28-13-3-6-16-31(28)38-39(34)33-17-7-8-21-40-33;1-4-12-25-22(9-1)23-10-2-5-13-26(23)30(25,20-8-7-17-31-18-20)21-15-16-28(32-19-21)29-24-11-3-6-14-27(24)33-34-29;;/h1-2,4-5,9-12,14-15,18-20,22-23,33H,3,6-8,13,16-17,21H2;1-2,4-5,7-10,12-13,15-19H,3,6,11,14H2,(H,33,34);2*1H4
InChIKeyKFIQTSQAJLWOHT-UHFFFAOYSA-N
XLogP14.66
TPSA107.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500997.30
LogP ≤ 514.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methane;2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole;3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole with MolForge

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Related Compounds

2-(Oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole
CID 130317971
CID 157387376
CID 157387376
3,6-Diphenyl-6-pyridin-2-yl-1,7-dihydroindazole;6-phenyl-3,6-dipyridin-2-yl-1,7-dihydroindazole;6-phenyl-6-pyridin-2-yl-3-pyridin-3-yl-1,7-dihydroindazole
CID 157460484
1,3-bis[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]isoquinoline;1,3-bis(5-tert-butyl-1H-pyrazol-3-yl)isoquinoline
CID 157752754
3-tert-butyl-2-methyl-9H-fluorene;6-tert-butyl-7-methyl-9H-indeno[2,1-b]pyridine;6-tert-butyl-7-methyl-9H-indeno[2,1-c]pyridine;8-tert-butyl-7-methyl-5H-indeno[1,2-c]pyridine;4-tert-butyl-5-methyl-1H-pyrazole;ethane
CID 158726101
2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-4-(2-methylpropyl)-5-phenylpyridine;4-(2-methylpropyl)-2-(5-methyl-1H-pyrazol-3-yl)-5-phenylpyridine;hydrochloride
CID 158914525
chloroplatinum(1+);methane;3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole;3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-2-ide
CID 158976221
1,3-bis[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]isoquinoline;1,3-bis(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)isoquinoline
CID 159021420
4-methyl-2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-5-phenylpyridine;4-methyl-2-(5-methyl-1H-pyrazol-3-yl)-5-phenylpyridine;hydrochloride
CID 159166579
3-[6-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]-2-pyridinyl]-7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazole;3-[6-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)-2-pyridinyl]-7,7-dimethyl-1,4,5,6-tetrahydroindazole
CID 159737370
3-[3-tert-butyl-1-(oxan-2-yl)pyrazol-5-yl]-1-[7,7-dimethyl-2-(oxan-2-yl)-5,6-dihydro-4H-indazol-3-yl]isoquinoline;3-(5-tert-butyl-1H-pyrazol-3-yl)-1-(7,7-dimethyl-1,4,5,6-tetrahydroindazol-3-yl)isoquinoline
CID 161161567
2-Chloro-5-(9-pyridin-3-ylfluoren-9-yl)pyridine;3-(1,5-dimethyl-2,4-dioxa-3-borabicyclo[3.1.0]hexan-3-yl)-2-(oxan-2-yl)-4,5,6,7-tetrahydroindazole;methane;2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole
CID 161721900

Frequently Asked Questions

What is the IUPAC name of methane;2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole;3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of methane;2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole;3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole (CID 159118177) is methane;2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole;3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for methane;2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole;3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for methane;2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole;3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole is C.C.c1cncc(C2(c3ccc(-c4c5c(nn4C4CCCCO4)CCCC5)nc3)c3ccccc3-c3ccccc32)c1.c1cncc(C2(c3ccc(-c4n[nH]c5c4CCCC5)nc3)c3ccccc3-c3ccccc32)c1.
What is the InChIKey of methane;2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole;3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is KFIQTSQAJLWOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N4O.C30H24N4.2CH4/c1-4-14-29-26(11-1)27-12-2-5-15-30(27)35(29,24-10-9-20-36-22-24)25-18-19-32(37-23-25)34-28-13-3-6-16-31(28)38-39(34)33-17-7-8-21-40-33;1-4-12-25-22(9-1)23-10-2-5-13-26(23)30(25,20-8-7-17-31-18-20)21-15-16-28(32-19-21)29-24-11-3-6-14-27(24)33-34-29;;/h1-2,4-5,9-12,14-15,18-20,22-23,33H,3,6-8,13,16-17,21H2;1-2,4-5,7-10,12-13,15-19H,3,6,11,14H2,(H,33,34);2*1H4.
What are the key properties of methane;2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole;3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole?
methane;2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole;3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 997.30 g/mol, XLogP of 14.66, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-(oxan-2-yl)-3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazole;3-[5-(9-pyridin-3-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 159118177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).