CID 177412276

C56H90Sn — CID 177412276

IUPAC—
SMILESCCCC1(CCC)CC(C)(C)c2cc3c(c([Sn]c4c5c(cc6c4C(CCC)(CCC)CC6(C)C)C(C)(C)CC5(CCC)CCC)c21)C(CCC)(CCC)CC3(C)C
InChIInChI=1S/2C28H45.Sn/c2*1-9-13-27(14-10-2)19-25(5,6)21-17-22-24(18-23(21)27)28(15-11-3,16-12-4)20-26(22,7)8;/h2*17H,9-16,19-20H2,1-8H3;
InChIKeyYQZRKNYGADZLBO-UHFFFAOYSA-N
MW882.05 g/mol
LogP15.42
Rot. Bonds18

About CID 177412276

CID 177412276 (PubChem CID 177412276) has the molecular formula C56H90Sn and a molecular weight of 882.05 g/mol.

Molecular Properties

Compound NameCID 177412276
PubChem CID177412276
Molecular FormulaC56H90Sn
Molecular Weight882.05 g/mol
Exact Mass882.61
IUPAC Name—
SMILESCCCC1(CCC)CC(C)(C)c2cc3c(c([Sn]c4c5c(cc6c4C(CCC)(CCC)CC6(C)C)C(C)(C)CC5(CCC)CCC)c21)C(CCC)(CCC)CC3(C)C
InChIInChI=1S/2C28H45.Sn/c2*1-9-13-27(14-10-2)19-25(5,6)21-17-22-24(18-23(21)27)28(15-11-3,16-12-4)20-26(22,7)8;/h2*17H,9-16,19-20H2,1-8H3;
InChIKeyYQZRKNYGADZLBO-UHFFFAOYSA-N
XLogP15.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.05
LogP ≤ 515.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[4-[4-(1,1-dimethyl-3,3-dipropyl-2H-inden-4-yl)-N-[4-(3,3-dimethyl-1,1-dipropyl-2H-inden-4-yl)phenyl]anilino]-2-hydroxyphenyl]-4-[4-[4-(3,3-dimethyl-1,1-dipropyl-2H-inden-4-yl)-N-[4-(3,3-dimethyl-1,1-dipropyl-2H-inden-4-yl)phenyl]anilino]-2-hydroxyphenyl]cyclobutane-1,3-diol
CID 163948877
2-[4-[4-(1,1-dimethyl-3,3-dipropyl-2H-inden-4-yl)-N-[4-(3,3-dimethyl-1,1-dipropyl-2H-inden-4-yl)phenyl]anilino]-2-hydroxyphenyl]-4-[4-[4-(3,3-dimethyl-1,1-dipropyl-2H-inden-4-yl)-N-[4-(3,3-dimethyl-1,1-dipropyl-2H-inden-4-yl)phenyl]anilino]-2-hydroxyphenyl]cyclobutane-1,3-diolate
CID 163948876
1,1,7,7-tetraethyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacene-4-thiolate
CID 102477634
1,1,7,7-tetraethyl-4-iodo-3,3,5,5-tetramethyl-2,6-dihydro-s-indacene
CID 132596556
2-N,2-N,8-N,8-N-tetrakis[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaene-2,8-diamine
CID 164756206
2,4-bis[1-hydroxy-6-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobutane-1,3-diolate
CID 164756047
N-[2-[2,4-dihydroxy-3-[2-(methanesulfonamido)-4-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobuta-1,3-dien-1-yl]-5-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]methanesulfonamide
CID 164952813
2,4-bis[1-hydroxy-6-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate;2,4-bis[1-hydroxy-6-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]naphthalen-2-yl]cyclobuta-1,3-diene-1,3-diolate
CID 165012205
2,4-bis[2,6-dihydroxy-4-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(1,1,7,7-tetrabutyl-3,3,5,5-tetramethyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobutane-1,3-diolate
CID 164756103
2,4-bis[2,6-dihydroxy-4-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobuta-1,3-diene-1,3-diolate;2-[2-(hydroxymethyl)-4-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]-4-[2-methoxy-4-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)-N-[4-(3,3,5,5-tetramethyl-1,1,7,7-tetrapropyl-2,6-dihydro-s-indacen-4-yl)phenyl]anilino]phenyl]cyclobuta-1,3-diene-1,3-diolate
CID 164986668
1,2-bis(5,5,8,8,16,16,19,19,26,26,29,29-dodecamethyl-12-propyl-1-octacyclo[10.10.10.02,11.04,9.013,22.015,20.023,32.025,30]dotriaconta-2(11),3,9,13(22),14,20,23(32),24,30-nonaenyl)diphosphirane
CID 177434695
2,2,4,6,6,9-hexamethyltricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene
CID 177102156

Frequently Asked Questions

What is the IUPAC name of CID 177412276?
The IUPAC name of CID 177412276 (CID 177412276) is not available.
What is the SMILES notation for CID 177412276?
The canonical SMILES for CID 177412276 is CCCC1(CCC)CC(C)(C)c2cc3c(c([Sn]c4c5c(cc6c4C(CCC)(CCC)CC6(C)C)C(C)(C)CC5(CCC)CCC)c21)C(CCC)(CCC)CC3(C)C.
What is the InChIKey of CID 177412276?
The InChIKey is YQZRKNYGADZLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H45.Sn/c2*1-9-13-27(14-10-2)19-25(5,6)21-17-22-24(18-23(21)27)28(15-11-3,16-12-4)20-26(22,7)8;/h2*17H,9-16,19-20H2,1-8H3;.
What are the key properties of CID 177412276?
CID 177412276 has a molecular weight of 882.05 g/mol, XLogP of 15.42, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177412276 is sourced from PubChem (CID 177412276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).