CID 155427843

C82H56N4O2 — CID 155427843

IUPAC—
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc4c(o3)C3(c5ccccc5N(c5ccccc5)c5ccccc53)c3cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)oc3C43c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1
InChIInChI=1S/C82H56N4O2/c1-7-27-57(28-8-1)59-47-51-65(52-48-59)83(61-31-11-3-12-32-61)77-55-71-79(87-77)82(69-41-21-25-45-75(69)86(64-37-17-6-18-38-64)76-46-26-22-42-70(76)82)72-56-78(84(62-33-13-4-14-34-62)66-53-49-60(50-54-66)58-29-9-2-10-30-58)88-80(72)81(71)67-39-19-23-43-73(67)85(63-35-15-5-16-36-63)74-44-24-20-40-68(74)81/h1-56H
InChIKeyGLKUXPNSVKSWPH-UHFFFAOYSA-N
MW1129.38 g/mol
LogP21.79
Rot. Bonds10

About CID 155427843

CID 155427843 (PubChem CID 155427843) has the molecular formula C82H56N4O2 and a molecular weight of 1129.38 g/mol.

Molecular Properties

Compound NameCID 155427843
PubChem CID155427843
Molecular FormulaC82H56N4O2
Molecular Weight1129.38 g/mol
Exact Mass1128.44
IUPAC Name—
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc4c(o3)C3(c5ccccc5N(c5ccccc5)c5ccccc53)c3cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)oc3C43c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1
InChIInChI=1S/C82H56N4O2/c1-7-27-57(28-8-1)59-47-51-65(52-48-59)83(61-31-11-3-12-32-61)77-55-71-79(87-77)82(69-41-21-25-45-75(69)86(64-37-17-6-18-38-64)76-46-26-22-42-70(76)82)72-56-78(84(62-33-13-4-14-34-62)66-53-49-60(50-54-66)58-29-9-2-10-30-58)88-80(72)81(71)67-39-19-23-43-73(67)85(63-35-15-5-16-36-63)74-44-24-20-40-68(74)81/h1-56H
InChIKeyGLKUXPNSVKSWPH-UHFFFAOYSA-N
XLogP21.79
TPSA39.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001129.38
LogP ≤ 521.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 155428103
CID 155428103
N,4-diphenyl-N-[4-(9,9,10-triphenylacridin-3-yl)phenyl]aniline
CID 121259178
CID 155428039
CID 155428039
4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline
CID 121258967
N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline
CID 121258973
N-[4-(3,5-diphenylphenyl)phenyl]-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine
CID 155240457
10-phenyl-N-(3-phenylphenyl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]spiro[acridine-9,9'-fluorene]-4'-amine
CID 155240469
2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465104
N,14-diphenyl-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine;14-phenyl-N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
CID 159691989
10-phenyl-N,N-bis[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166634
N-[4-(2',7'-dinaphthalen-2-ylspiro[acridine-9,9'-fluorene]-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 143268865
10-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 135168804

Frequently Asked Questions

What is the IUPAC name of CID 155427843?
The IUPAC name of CID 155427843 (CID 155427843) is not available.
What is the SMILES notation for CID 155427843?
The canonical SMILES for CID 155427843 is c1ccc(-c2ccc(N(c3ccccc3)c3cc4c(o3)C3(c5ccccc5N(c5ccccc5)c5ccccc53)c3cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)oc3C43c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1.
What is the InChIKey of CID 155427843?
The InChIKey is GLKUXPNSVKSWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H56N4O2/c1-7-27-57(28-8-1)59-47-51-65(52-48-59)83(61-31-11-3-12-32-61)77-55-71-79(87-77)82(69-41-21-25-45-75(69)86(64-37-17-6-18-38-64)76-46-26-22-42-70(76)82)72-56-78(84(62-33-13-4-14-34-62)66-53-49-60(50-54-66)58-29-9-2-10-30-58)88-80(72)81(71)67-39-19-23-43-73(67)85(63-35-15-5-16-36-63)74-44-24-20-40-68(74)81/h1-56H.
What are the key properties of CID 155427843?
CID 155427843 has a molecular weight of 1129.38 g/mol, XLogP of 21.79, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155427843 is sourced from PubChem (CID 155427843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).