CID 163666142

C66H44N4 — CID 163666142

IUPAC—
SMILESC1=CC2c3ccccc3C3(c4ccccc4N(c4ccc(-c5cccnc5)cc4)c4cc5c(cc43)N(c3ccc(-c4cccnc4)cc3)c3ccccc3C53c4ccccc4-c4ccccc43)C2C=C1
InChIInChI=1S/C66H44N4/c1-5-21-53-49(17-1)50-18-2-6-22-54(50)65(53)57-25-9-11-27-61(57)69(47-33-29-43(30-34-47)45-15-13-37-67-41-45)63-40-60-64(39-59(63)65)70(48-35-31-44(32-36-48)46-16-14-38-68-42-46)62-28-12-10-26-58(62)66(60)55-23-7-3-19-51(55)52-20-4-8-24-56(52)66/h1-42,49,53H
InChIKeyIYQDOZBKFDQHPT-UHFFFAOYSA-N
MW893.11 g/mol
LogP15.91
Rot. Bonds4

About CID 163666142

CID 163666142 (PubChem CID 163666142) has the molecular formula C66H44N4 and a molecular weight of 893.11 g/mol.

Molecular Properties

Compound NameCID 163666142
PubChem CID163666142
Molecular FormulaC66H44N4
Molecular Weight893.11 g/mol
Exact Mass892.36
IUPAC Name—
SMILESC1=CC2c3ccccc3C3(c4ccccc4N(c4ccc(-c5cccnc5)cc4)c4cc5c(cc43)N(c3ccc(-c4cccnc4)cc3)c3ccccc3C53c4ccccc4-c4ccccc43)C2C=C1
InChIInChI=1S/C66H44N4/c1-5-21-53-49(17-1)50-18-2-6-22-54(50)65(53)57-25-9-11-27-61(57)69(47-33-29-43(30-34-47)45-15-13-37-67-41-45)63-40-60-64(39-59(63)65)70(48-35-31-44(32-36-48)46-16-14-38-68-42-46)62-28-12-10-26-58(62)66(60)55-23-7-3-19-51(55)52-20-4-8-24-56(52)66/h1-42,49,53H
InChIKeyIYQDOZBKFDQHPT-UHFFFAOYSA-N
XLogP15.91
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.11
LogP ≤ 515.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

14-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),3,5,8,10,12,15,17-octaene]-3-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 130271564
10-phenyl-3-pyridin-4-ylspiro[acridine-9,9'-fluorene]
CID 146495033
2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465104
10-phenyl-3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]
CID 139521203
CID 137451109
CID 137451109
12'-phenyl-N-(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,7'-naphtho[1,2-b]quinoline]-9'-amine
CID 155484351
14-[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),3,5,8,10,12,15,17-octaen-14-yl)phenyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 144559190
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
2'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 139521181
2-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 158956061
9,9-dimethyl-10-[3-(3-pyridin-3-ylphenyl)phenyl]-4a,9a-dihydroacridine
CID 130326840
4-(spiro[4a,9a-dihydrofluorene-9,10'-anthracene]-9'-ylidenemethyl)-N,N-bis[4-(spiro[anthracene-10,9'-fluorene]-9-ylidenemethyl)phenyl]aniline
CID 89177572

Frequently Asked Questions

What is the IUPAC name of CID 163666142?
The IUPAC name of CID 163666142 (CID 163666142) is not available.
What is the SMILES notation for CID 163666142?
The canonical SMILES for CID 163666142 is C1=CC2c3ccccc3C3(c4ccccc4N(c4ccc(-c5cccnc5)cc4)c4cc5c(cc43)N(c3ccc(-c4cccnc4)cc3)c3ccccc3C53c4ccccc4-c4ccccc43)C2C=C1.
What is the InChIKey of CID 163666142?
The InChIKey is IYQDOZBKFDQHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N4/c1-5-21-53-49(17-1)50-18-2-6-22-54(50)65(53)57-25-9-11-27-61(57)69(47-33-29-43(30-34-47)45-15-13-37-67-41-45)63-40-60-64(39-59(63)65)70(48-35-31-44(32-36-48)46-16-14-38-68-42-46)62-28-12-10-26-58(62)66(60)55-23-7-3-19-51(55)52-20-4-8-24-56(52)66/h1-42,49,53H.
What are the key properties of CID 163666142?
CID 163666142 has a molecular weight of 893.11 g/mol, XLogP of 15.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163666142 is sourced from PubChem (CID 163666142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).