CID 144851814

C86H56N2OSi- — CID 144851814

IUPAC—
SMILESc1ccc([Si-]2(c3ccccc3)c3ccc(-c4ccc(N5c6ccccc6C6(c7ccccc7-c7ccccc76)c6ccccc65)cc4)cc3Oc3cc(-c4ccc(N5c6ccccc6C6(c7ccccc7-c7ccccc76)c6ccccc65)cc4)ccc32)cc1
InChIInChI=1S/C86H56N2OSi/c1-3-23-63(24-4-1)90(64-25-5-2-6-26-64)83-53-47-59(57-43-49-61(50-44-57)87-77-39-19-15-35-73(77)85(74-36-16-20-40-78(74)87)69-31-11-7-27-65(69)66-28-8-12-32-70(66)85)55-81(83)89-82-56-60(48-54-84(82)90)58-45-51-62(52-46-58)88-79-41-21-17-37-75(79)86(76-38-18-22-42-80(76)88)71-33-13-9-29-67(71)68-30-10-14-34-72(68)86/h1-56H/q-1
InChIKeyBEIZXFZPJLSVIF-UHFFFAOYSA-N
MW1161.49 g/mol
LogP18.80
Rot. Bonds6

About CID 144851814

CID 144851814 (PubChem CID 144851814) has the molecular formula C86H56N2OSi- and a molecular weight of 1161.49 g/mol.

Molecular Properties

Compound NameCID 144851814
PubChem CID144851814
Molecular FormulaC86H56N2OSi-
Molecular Weight1161.49 g/mol
Exact Mass1160.42
IUPAC Name—
SMILESc1ccc([Si-]2(c3ccccc3)c3ccc(-c4ccc(N5c6ccccc6C6(c7ccccc7-c7ccccc76)c6ccccc65)cc4)cc3Oc3cc(-c4ccc(N5c6ccccc6C6(c7ccccc7-c7ccccc76)c6ccccc65)cc4)ccc32)cc1
InChIInChI=1S/C86H56N2OSi/c1-3-23-63(24-4-1)90(64-25-5-2-6-26-64)83-53-47-59(57-43-49-61(50-44-57)87-77-39-19-15-35-73(77)85(74-36-16-20-40-78(74)87)69-31-11-7-27-65(69)66-28-8-12-32-70(66)85)55-81(83)89-82-56-60(48-54-84(82)90)58-45-51-62(52-46-58)88-79-41-21-17-37-75(79)86(76-38-18-22-42-80(76)88)71-33-13-9-29-67(71)68-30-10-14-34-72(68)86/h1-56H/q-1
InChIKeyBEIZXFZPJLSVIF-UHFFFAOYSA-N
XLogP18.80
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001161.49
LogP ≤ 518.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

CID 144851701
CID 144851701
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
10-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)phenoxazine
CID 118698598
5-phenyl-10-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-ylphenyl)phenazine
CID 129308793
2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465104
CID 146495452
CID 146495452
10-(10,10-diphenylbenzo[b][1,4]benzoxastannin-3-yl)spiro[acridine-9,9'-fluorene]
CID 144851745
10-phenyl-3-pyridin-4-ylspiro[acridine-9,9'-fluorene]
CID 146495033
10-[10-(2,6-diphenylphenyl)-3-spiro[acridine-9,9'-fluorene]-10-ylbenzo[b][1,4]benzoxaborinin-7-yl]spiro[acridine-9,9'-fluorene]
CID 140728571
2'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 139521181
10-[4-(3,5-diisocyanophenyl)phenyl]spiro[acridine-9,9'-fluorene]
CID 158640756
3'-[3-(4-methylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene];toluene
CID 145334426

Frequently Asked Questions

What is the IUPAC name of CID 144851814?
The IUPAC name of CID 144851814 (CID 144851814) is not available.
What is the SMILES notation for CID 144851814?
The canonical SMILES for CID 144851814 is c1ccc([Si-]2(c3ccccc3)c3ccc(-c4ccc(N5c6ccccc6C6(c7ccccc7-c7ccccc76)c6ccccc65)cc4)cc3Oc3cc(-c4ccc(N5c6ccccc6C6(c7ccccc7-c7ccccc76)c6ccccc65)cc4)ccc32)cc1.
What is the InChIKey of CID 144851814?
The InChIKey is BEIZXFZPJLSVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H56N2OSi/c1-3-23-63(24-4-1)90(64-25-5-2-6-26-64)83-53-47-59(57-43-49-61(50-44-57)87-77-39-19-15-35-73(77)85(74-36-16-20-40-78(74)87)69-31-11-7-27-65(69)66-28-8-12-32-70(66)85)55-81(83)89-82-56-60(48-54-84(82)90)58-45-51-62(52-46-58)88-79-41-21-17-37-75(79)86(76-38-18-22-42-80(76)88)71-33-13-9-29-67(71)68-30-10-14-34-72(68)86/h1-56H/q-1.
What are the key properties of CID 144851814?
CID 144851814 has a molecular weight of 1161.49 g/mol, XLogP of 18.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144851814 is sourced from PubChem (CID 144851814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).