CID 159290287

C68H53NO — CID 159290287

IUPAC—
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5c4oc4ccccc45)c3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3C43C4CC5CC(C4)CC3C5)cc21
InChIInChI=1S/C68H53NO/c1-66(2)56-23-7-3-17-50(56)53-31-29-47(39-62(53)66)69(46-16-13-15-43(38-46)49-21-14-22-55-54-20-6-12-28-64(54)70-65(49)55)48-30-32-61-63(40-48)68(57-24-8-4-18-51(57)52-19-5-9-25-58(52)68)60-27-11-10-26-59(60)67(61)44-34-41-33-42(36-44)37-45(67)35-41/h3-32,38-42,44-45H,33-37H2,1-2H3
InChIKeyAABWLGSBZPPCLT-UHFFFAOYSA-N
MW900.18 g/mol
LogP17.45
Rot. Bonds4

About CID 159290287

CID 159290287 (PubChem CID 159290287) has the molecular formula C68H53NO and a molecular weight of 900.18 g/mol.

Molecular Properties

Compound NameCID 159290287
PubChem CID159290287
Molecular FormulaC68H53NO
Molecular Weight900.18 g/mol
Exact Mass899.41
IUPAC Name—
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5c4oc4ccccc45)c3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3C43C4CC5CC(C4)CC3C5)cc21
InChIInChI=1S/C68H53NO/c1-66(2)56-23-7-3-17-50(56)53-31-29-47(39-62(53)66)69(46-16-13-15-43(38-46)49-21-14-22-55-54-20-6-12-28-64(54)70-65(49)55)48-30-32-61-63(40-48)68(57-24-8-4-18-51(57)52-19-5-9-25-58(52)68)60-27-11-10-26-59(60)67(61)44-34-41-33-42(36-44)37-45(67)35-41/h3-32,38-42,44-45H,33-37H2,1-2H3
InChIKeyAABWLGSBZPPCLT-UHFFFAOYSA-N
XLogP17.45
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.18
LogP ≤ 517.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylaniline;9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine
CID 162212897
N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839606
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156573656
N-(3-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170217258
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839605
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964212
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170216623
3-dibenzofuran-4-yl-N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839393
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839786
8-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 88534252
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenylfluoren-2-amine;N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 158851525
6-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-2-amine
CID 174311871

Frequently Asked Questions

What is the IUPAC name of CID 159290287?
The IUPAC name of CID 159290287 (CID 159290287) is not available.
What is the SMILES notation for CID 159290287?
The canonical SMILES for CID 159290287 is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5c4oc4ccccc45)c3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3C43C4CC5CC(C4)CC3C5)cc21.
What is the InChIKey of CID 159290287?
The InChIKey is AABWLGSBZPPCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H53NO/c1-66(2)56-23-7-3-17-50(56)53-31-29-47(39-62(53)66)69(46-16-13-15-43(38-46)49-21-14-22-55-54-20-6-12-28-64(54)70-65(49)55)48-30-32-61-63(40-48)68(57-24-8-4-18-51(57)52-19-5-9-25-58(52)68)60-27-11-10-26-59(60)67(61)44-34-41-33-42(36-44)37-45(67)35-41/h3-32,38-42,44-45H,33-37H2,1-2H3.
What are the key properties of CID 159290287?
CID 159290287 has a molecular weight of 900.18 g/mol, XLogP of 17.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159290287 is sourced from PubChem (CID 159290287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).