N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-22-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-5-amine

C61H43NO — CID 171757658

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-22-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4c(c3)-c3ccccc3Oc3c-4cc(-c4ccccc4)c4ccccc34)cc21
InChIInChI=1S/C61H43NO/c1-61(2)57-28-16-14-25-50(57)51-33-31-46(38-58(51)61)62(47-35-43(40-18-6-3-7-19-40)34-44(36-47)41-20-8-4-9-21-41)45-30-32-49-55(37-45)52-26-15-17-29-59(52)63-60-53-27-13-12-24-48(53)54(39-56(49)60)42-22-10-5-11-23-42/h3-39H,1-2H3
InChIKeyTVZWWURLLMHHIL-UHFFFAOYSA-N
MW806.02 g/mol
LogP17.06
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-22-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-5-amine

N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-22-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-5-amine (PubChem CID 171757658) has the molecular formula C61H43NO and a molecular weight of 806.02 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-22-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-5-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-22-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-5-amine
PubChem CID171757658
Molecular FormulaC61H43NO
Molecular Weight806.02 g/mol
Exact Mass805.33
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-22-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-5-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4c(c3)-c3ccccc3Oc3c-4cc(-c4ccccc4)c4ccccc34)cc21
InChIInChI=1S/C61H43NO/c1-61(2)57-28-16-14-25-50(57)51-33-31-46(38-58(51)61)62(47-35-43(40-18-6-3-7-19-40)34-44(36-47)41-20-8-4-9-21-41)45-30-32-49-55(37-45)52-26-15-17-29-59(52)63-60-53-27-13-12-24-48(53)54(39-56(49)60)42-22-10-5-11-23-42/h3-39H,1-2H3
InChIKeyTVZWWURLLMHHIL-UHFFFAOYSA-N
XLogP17.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.02
LogP ≤ 517.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-22-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-5-amine with MolForge

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Related Compounds

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N-(9,9-dimethylfluoren-2-yl)-4,16-diphenyl-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8(13),9,11,15,17-nonaen-10-amine
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N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)spiro[[1]benzofuro[3,2-b]chromene-11,9'-fluorene]-3'-amine
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N-(9,9-dimethylfluoren-2-yl)-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]-2-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine;N-(2-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]-2-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine
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N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)dibenzothiophen-2-amine
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Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-22-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-5-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-22-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-5-amine (CID 171757658) is N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-22-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-5-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-22-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-5-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-22-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-5-amine is CC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4c(c3)-c3ccccc3Oc3c-4cc(-c4ccccc4)c4ccccc34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-22-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-5-amine?
The InChIKey is TVZWWURLLMHHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43NO/c1-61(2)57-28-16-14-25-50(57)51-33-31-46(38-58(51)61)62(47-35-43(40-18-6-3-7-19-40)34-44(36-47)41-20-8-4-9-21-41)45-30-32-49-55(37-45)52-26-15-17-29-59(52)63-60-53-27-13-12-24-48(53)54(39-56(49)60)42-22-10-5-11-23-42/h3-39H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-22-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-5-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-22-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-5-amine has a molecular weight of 806.02 g/mol, XLogP of 17.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-22-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.016,21]tricosa-1(15),2(7),3,5,8,10,12,16,18,20,22-undecaen-5-amine is sourced from PubChem (CID 171757658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).