7,7,7',7'-tetramethyl-18,18'-spirobi[23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene]

C51H40N4 — CID 58756119

IUPAC7,7,7',7'-tetramethyl-18,18'-spirobi[23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene]
SMILESCC1(C)c2cccc(c2)-c2cccc(n2)C2(c3cccc(n3)-c3cccc1c3)c1cccc(n1)-c1cccc(c1)C(C)(C)c1cccc(c1)-c1cccc2n1
InChIInChI=1S/C51H40N4/c1-49(2)37-17-5-13-33(29-37)41-21-9-25-45(52-41)51(46-26-10-22-42(53-46)34-14-6-18-38(49)30-34)47-27-11-23-43(54-47)35-15-7-19-39(31-35)50(3,4)40-20-8-16-36(32-40)44-24-12-28-48(51)55-44/h5-32H,1-4H3
InChIKeyLHHDUCZTCSBSNZ-UHFFFAOYSA-N
MW708.91 g/mol
LogP11.60
Rot. Bonds

About 7,7,7',7'-tetramethyl-18,18'-spirobi[23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene]

7,7,7',7'-tetramethyl-18,18'-spirobi[23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene] (PubChem CID 58756119) has the molecular formula C51H40N4 and a molecular weight of 708.91 g/mol. Its IUPAC name is 7,7,7',7'-tetramethyl-18,18'-spirobi[23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene].

Molecular Properties

Compound Name7,7,7',7'-tetramethyl-18,18'-spirobi[23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene]
PubChem CID58756119
Molecular FormulaC51H40N4
Molecular Weight708.91 g/mol
Exact Mass708.33
IUPAC Name7,7,7',7'-tetramethyl-18,18'-spirobi[23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene]
SMILESCC1(C)c2cccc(c2)-c2cccc(n2)C2(c3cccc(n3)-c3cccc1c3)c1cccc(n1)-c1cccc(c1)C(C)(C)c1cccc(c1)-c1cccc2n1
InChIInChI=1S/C51H40N4/c1-49(2)37-17-5-13-33(29-37)41-21-9-25-45(52-41)51(46-26-10-22-42(53-46)34-14-6-18-38(49)30-34)47-27-11-23-43(54-47)35-15-7-19-39(31-35)50(3,4)40-20-8-16-36(32-40)44-24-12-28-48(51)55-44/h5-32H,1-4H3
InChIKeyLHHDUCZTCSBSNZ-UHFFFAOYSA-N
XLogP11.60
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.91
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7,7,7',7'-tetramethyl-18,18'-spirobi[23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene] with MolForge

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Related Compounds

4,10-dimethoxy-7,7,18,18-tetramethyl-23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene
CID 59342039
7,7-dimethyl-18-(4-phenylbutyl)-18-pyridin-2-yl-23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene
CID 58621351
3,5-difluoro-17,17-dimethyl-22,23-diazapentacyclo[16.3.1.12,6.17,11.112,16]pentacosa-1(22),2,4,6(25),7,9,11(24),12(23),13,15,18,20-dodecaene
CID 59646033
2-[3-(1-methylcyclopropyl)phenyl]pyridine
CID 59346149
2-phenyl-6-[9-(6-phenyl-2-pyridinyl)-10H-anthracen-9-yl]pyridine
CID 71261610
ethane;2-phenyl-6-[5-phenyl-10-(6-phenyl-2-pyridinyl)acridophosphin-10-yl]pyridine
CID 144525003
3-[6-[9-[6-(3-cyanophenyl)-2-pyridinyl]xanthen-9-yl]-2-pyridinyl]benzonitrile
CID 71261603
2-(4-phenylphenyl)-6-[9-[6-(4-phenylphenyl)-2-pyridinyl]xanthen-9-yl]pyridine
CID 140758618
2-(9,9-dimethylfluoren-2-yl)-6-[7-[7-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyridine
CID 58881225
10-phenyl-9,9-bis(6-phenyl-2-pyridinyl)acridine
CID 71261593
2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-10,10-dimethylanthracen-9-yl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine
CID 88886340
2-[6-[9-(3-benzo[g]quinoxalin-3-ylphenyl)-2,7-ditert-butylfluoren-9-yl]-2-pyridinyl]phenol
CID 166511841

Frequently Asked Questions

What is the IUPAC name of 7,7,7',7'-tetramethyl-18,18'-spirobi[23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene]?
The IUPAC name of 7,7,7',7'-tetramethyl-18,18'-spirobi[23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene] (CID 58756119) is 7,7,7',7'-tetramethyl-18,18'-spirobi[23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene].
What is the SMILES notation for 7,7,7',7'-tetramethyl-18,18'-spirobi[23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene]?
The canonical SMILES for 7,7,7',7'-tetramethyl-18,18'-spirobi[23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene] is CC1(C)c2cccc(c2)-c2cccc(n2)C2(c3cccc(n3)-c3cccc1c3)c1cccc(n1)-c1cccc(c1)C(C)(C)c1cccc(c1)-c1cccc2n1.
What is the InChIKey of 7,7,7',7'-tetramethyl-18,18'-spirobi[23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene]?
The InChIKey is LHHDUCZTCSBSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H40N4/c1-49(2)37-17-5-13-33(29-37)41-21-9-25-45(52-41)51(46-26-10-22-42(53-46)34-14-6-18-38(49)30-34)47-27-11-23-43(54-47)35-15-7-19-39(31-35)50(3,4)40-20-8-16-36(32-40)44-24-12-28-48(51)55-44/h5-32H,1-4H3.
What are the key properties of 7,7,7',7'-tetramethyl-18,18'-spirobi[23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene]?
7,7,7',7'-tetramethyl-18,18'-spirobi[23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene] has a molecular weight of 708.91 g/mol, XLogP of 11.60, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7',7'-tetramethyl-18,18'-spirobi[23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene] is sourced from PubChem (CID 58756119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).