CID 155428103

C82H56N4O2 — CID 155428103

IUPAC—
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cc4c(o3)C3(c5ccccc5N(c5ccccc5)c5ccccc53)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)oc3C43c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1
InChIInChI=1S/C82H56N4O2/c1-7-27-59(28-8-1)83(60-29-9-2-10-30-60)65-51-47-57(48-52-65)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(58-49-53-66(54-50-58)84(61-31-11-3-12-32-61)62-33-13-4-14-34-62)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
InChIKeyCVNBXMMWBSGUQJ-UHFFFAOYSA-N
MW1129.38 g/mol
LogP21.79
Rot. Bonds10

About CID 155428103

CID 155428103 (PubChem CID 155428103) has the molecular formula C82H56N4O2 and a molecular weight of 1129.38 g/mol.

Molecular Properties

Compound NameCID 155428103
PubChem CID155428103
Molecular FormulaC82H56N4O2
Molecular Weight1129.38 g/mol
Exact Mass1128.44
IUPAC Name—
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cc4c(o3)C3(c5ccccc5N(c5ccccc5)c5ccccc53)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)oc3C43c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1
InChIInChI=1S/C82H56N4O2/c1-7-27-59(28-8-1)83(60-29-9-2-10-30-60)65-51-47-57(48-52-65)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(58-49-53-66(54-50-58)84(61-31-11-3-12-32-61)62-33-13-4-14-34-62)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
InChIKeyCVNBXMMWBSGUQJ-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

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CID 155427843
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CID 155428039
N,4-diphenyl-N-[4-(9,9,10-triphenylacridin-3-yl)phenyl]aniline
CID 121259178
4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline
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2-N,2-N,8-N-triphenyl-8-N-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)dibenzofuran-2,8-diamine
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N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline
CID 121258973
N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 155240909
N-(9,9-dimethylfluoren-2-yl)-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 134309240
N,N-diphenyl-4-[10-[4-(N-phenylanilino)phenyl]phenazin-5-yl]aniline
CID 101231967
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
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N-[4-(2',7'-dinaphthalen-2-ylspiro[acridine-9,9'-fluorene]-10-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 143268865
N,1,11,13-tetraphenyl-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine
CID 168750833

Frequently Asked Questions

What is the IUPAC name of CID 155428103?
The IUPAC name of CID 155428103 (CID 155428103) is not available.
What is the SMILES notation for CID 155428103?
The canonical SMILES for CID 155428103 is c1ccc(N(c2ccccc2)c2ccc(-c3cc4c(o3)C3(c5ccccc5N(c5ccccc5)c5ccccc53)c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)oc3C43c4ccccc4N(c4ccccc4)c4ccccc43)cc2)cc1.
What is the InChIKey of CID 155428103?
The InChIKey is CVNBXMMWBSGUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H56N4O2/c1-7-27-59(28-8-1)83(60-29-9-2-10-30-60)65-51-47-57(48-52-65)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(58-49-53-66(54-50-58)84(61-31-11-3-12-32-61)62-33-13-4-14-34-62)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 155428103?
CID 155428103 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 155428103 is sourced from PubChem (CID 155428103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).