N-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-yl-N-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaen-9-amine

C53H37NO — CID 176597565

IUPACN-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-yl-N-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaen-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4c3-c3cccc(-c5ccc6ccccc6c5)c3-c3cc5ccccc5cc3O4)cc21
InChIInChI=1S/C53H37NO/c1-53(2)46-23-11-10-20-42(46)43-29-28-40(33-47(43)53)54(39-18-4-3-5-19-39)48-24-13-25-49-52(48)44-22-12-21-41(38-27-26-34-14-6-7-15-35(34)30-38)51(44)45-31-36-16-8-9-17-37(36)32-50(45)55-49/h3-33H,1-2H3
InChIKeyQZINJVLMTQRXGW-UHFFFAOYSA-N
MW703.89 g/mol
LogP14.88
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-yl-N-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaen-9-amine

N-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-yl-N-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaen-9-amine (PubChem CID 176597565) has the molecular formula C53H37NO and a molecular weight of 703.89 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-yl-N-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaen-9-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-yl-N-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaen-9-amine
PubChem CID176597565
Molecular FormulaC53H37NO
Molecular Weight703.89 g/mol
Exact Mass703.29
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-yl-N-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaen-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4c3-c3cccc(-c5ccc6ccccc6c5)c3-c3cc5ccccc5cc3O4)cc21
InChIInChI=1S/C53H37NO/c1-53(2)46-23-11-10-20-42(46)43-29-28-40(33-47(43)53)54(39-18-4-3-5-19-39)48-24-13-25-49-52(48)44-22-12-21-41(38-27-26-34-14-6-7-15-35(34)30-38)51(44)45-31-36-16-8-9-17-37(36)32-50(45)55-49/h3-33H,1-2H3
InChIKeyQZINJVLMTQRXGW-UHFFFAOYSA-N
XLogP14.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-yl-N-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaen-9-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-5-naphthalen-2-yl-N-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2(7),3,5,8,10,12,15,17,19,21-undecaen-9-amine
CID 176598016
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)-16-naphthalen-2-yl-N-phenyl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-9-amine
CID 176598282
9,9-dimethyl-N-(2-naphthalen-2-yl-3-phenylphenyl)-N-phenylfluoren-2-amine
CID 167293376
N-(9,9-dimethylfluoren-2-yl)-19-naphthalen-2-yl-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine
CID 176597964
N-(9,9-dimethylfluoren-2-yl)-11-naphthalen-2-yl-N-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-6-amine
CID 176597541
10-N-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-3,10-diamine
CID 168855475
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,N-bis(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]-1-amine;N-(9,9-dimethylfluoren-2-yl)-4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine;N-(9,9-dimethylfluoren-2-yl)-4-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-1-amine
CID 158323692
N-(2-dibenzothiophen-2-yl-3-naphthalen-2-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 167293330
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)tetracyclo[8.6.0.03,8.011,16]hexadeca-1,3,5,7,9,11(16),12,14-octaen-12-amine
CID 166031628
7-(20,20-dimethyl-6-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaenyl)-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 166906531

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-yl-N-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaen-9-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-yl-N-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaen-9-amine (CID 176597565) is N-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-yl-N-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaen-9-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-yl-N-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaen-9-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-yl-N-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaen-9-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4c3-c3cccc(-c5ccc6ccccc6c5)c3-c3cc5ccccc5cc3O4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-yl-N-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaen-9-amine?
The InChIKey is QZINJVLMTQRXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37NO/c1-53(2)46-23-11-10-20-42(46)43-29-28-40(33-47(43)53)54(39-18-4-3-5-19-39)48-24-13-25-49-52(48)44-22-12-21-41(38-27-26-34-14-6-7-15-35(34)30-38)51(44)45-31-36-16-8-9-17-37(36)32-50(45)55-49/h3-33H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-yl-N-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaen-9-amine?
N-(9,9-dimethylfluoren-2-yl)-3-naphthalen-2-yl-N-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaen-9-amine has a molecular weight of 703.89 g/mol, XLogP of 14.88, 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)-3-naphthalen-2-yl-N-phenyl-14-oxapentacyclo[13.8.0.02,7.08,13.017,22]tricosa-1(23),2,4,6,8,10,12,15,17,19,21-undecaen-9-amine is sourced from PubChem (CID 176597565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).