N-(9,9-dimethylfluoren-2-yl)-13-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-4-amine

C68H45NO — CID 176598166

IUPACN-(9,9-dimethylfluoren-2-yl)-13-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3cc5ccccc5cc3-c3c(cccc3-c3ccccc3)O4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/C68H45NO/c1-67(2)58-26-12-8-21-49(58)53-34-31-46(40-62(53)67)69(47-32-35-54-52-24-11-15-29-61(52)68(63(54)41-47)59-27-13-9-22-50(59)51-23-10-14-28-60(51)68)45-33-36-64-56(39-45)55-37-43-19-6-7-20-44(43)38-57(55)66-48(25-16-30-65(66)70-64)42-17-4-3-5-18-42/h3-41H,1-2H3
InChIKeyOKUFEIRBQWUZGV-UHFFFAOYSA-N
MW892.11 g/mol
LogP18.07
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-13-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-4-amine

N-(9,9-dimethylfluoren-2-yl)-13-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-4-amine (PubChem CID 176598166) has the molecular formula C68H45NO and a molecular weight of 892.11 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-13-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-13-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-4-amine
PubChem CID176598166
Molecular FormulaC68H45NO
Molecular Weight892.11 g/mol
Exact Mass891.35
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-13-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3cc5ccccc5cc3-c3c(cccc3-c3ccccc3)O4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/C68H45NO/c1-67(2)58-26-12-8-21-49(58)53-34-31-46(40-62(53)67)69(47-32-35-54-52-24-11-15-29-61(52)68(63(54)41-47)59-27-13-9-22-50(59)51-23-10-14-28-60(51)68)45-33-36-64-56(39-45)55-37-43-19-6-7-20-44(43)38-57(55)66-48(25-16-30-65(66)70-64)42-17-4-3-5-18-42/h3-41H,1-2H3
InChIKeyOKUFEIRBQWUZGV-UHFFFAOYSA-N
XLogP18.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.11
LogP ≤ 518.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-2-yl)-13-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-4-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-13-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-5-amine
CID 176598425
N-(9,9-dimethylfluoren-2-yl)-N-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
CID 130463618
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
CID 162161943
9,9-dimethyl-N-[4-[4-(19-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 176598288
N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-9-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 167232104
N-(9,9-dimethylfluoren-2-yl)-12-naphthalen-2-yl-N-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9(14),10,12,15,17,19,21-undecaen-3-amine
CID 176597813
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]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
CID 130263988
N-(7,7-dimethyl-1-phenylbenzo[a]phenalen-10-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 167232152
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-13-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-5-amine
CID 176597681
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168812085
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476546
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130462474

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-13-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-13-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-4-amine (CID 176598166) is N-(9,9-dimethylfluoren-2-yl)-13-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-13-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-13-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)-c3cc5ccccc5cc3-c3c(cccc3-c3ccccc3)O4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-13-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-4-amine?
The InChIKey is OKUFEIRBQWUZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45NO/c1-67(2)58-26-12-8-21-49(58)53-34-31-46(40-62(53)67)69(47-32-35-54-52-24-11-15-29-61(52)68(63(54)41-47)59-27-13-9-22-50(59)51-23-10-14-28-60(51)68)45-33-36-64-56(39-45)55-37-43-19-6-7-20-44(43)38-57(55)66-48(25-16-30-65(66)70-64)42-17-4-3-5-18-42/h3-41H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-13-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-4-amine?
N-(9,9-dimethylfluoren-2-yl)-13-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-4-amine has a molecular weight of 892.11 g/mol, XLogP of 18.07, 4 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)-13-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-4-amine is sourced from PubChem (CID 176598166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).