4-N-(9,9-dimethylfluoren-2-yl)-4-N,10-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine

C43H32N2O — CID 168855692

IUPAC4-N-(9,9-dimethylfluoren-2-yl)-4-N,10-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3cccc5ccc(Nc6ccccc6)c(c35)O4)cc21
InChIInChI=1S/C43H32N2O/c1-43(2)37-19-10-9-17-33(37)34-23-21-32(27-38(34)43)45(30-15-7-4-8-16-30)31-22-25-40-36(26-31)35-18-11-12-28-20-24-39(42(46-40)41(28)35)44-29-13-5-3-6-14-29/h3-27,44H,1-2H3
InChIKeyWTKJRTQJWIENHB-UHFFFAOYSA-N
MW592.74 g/mol
LogP12.13
Rot. Bonds5

About 4-N-(9,9-dimethylfluoren-2-yl)-4-N,10-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine

4-N-(9,9-dimethylfluoren-2-yl)-4-N,10-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine (PubChem CID 168855692) has the molecular formula C43H32N2O and a molecular weight of 592.74 g/mol. Its IUPAC name is 4-N-(9,9-dimethylfluoren-2-yl)-4-N,10-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine.

Molecular Properties

Compound Name4-N-(9,9-dimethylfluoren-2-yl)-4-N,10-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine
PubChem CID168855692
Molecular FormulaC43H32N2O
Molecular Weight592.74 g/mol
Exact Mass592.25
IUPAC Name4-N-(9,9-dimethylfluoren-2-yl)-4-N,10-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3cccc5ccc(Nc6ccccc6)c(c35)O4)cc21
InChIInChI=1S/C43H32N2O/c1-43(2)37-19-10-9-17-33(37)34-23-21-32(27-38(34)43)45(30-15-7-4-8-16-30)31-22-25-40-36(26-31)35-18-11-12-28-20-24-39(42(46-40)41(28)35)44-29-13-5-3-6-14-29/h3-27,44H,1-2H3
InChIKeyWTKJRTQJWIENHB-UHFFFAOYSA-N
XLogP12.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.74
LogP ≤ 512.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-N-(9,9-dimethylfluoren-2-yl)-4-N,10-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine with MolForge

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Related Compounds

4-N-(9,9-dimethylfluoren-2-yl)-10-N,10-N-diphenyl-4-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine
CID 168855904
10-N,10-N-bis[4-(9,9-dimethylfluoren-1-yl)phenyl]-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine
CID 168856006
10-N-(9,9-dimethylfluoren-2-yl)-5-N,5-N-diphenyl-10-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-5,10-diamine
CID 168855779
6-N-(9,9-dimethylfluoren-2-yl)-6-N-phenyl-10-N,10-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-6,10-diamine
CID 168855982
11-N-(9,9-dimethylfluoren-2-yl)-4-N,4-N,11-N-tris(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,11-diamine
CID 166900464
N-(9,9-dimethylfluoren-2-yl)-16-phenyl-N-(3-phenylphenyl)-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 176597633
N,N-diphenyl-10-[4-(N-phenylanilino)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-amine
CID 168855457
4-N-(9,9-diphenylfluoren-2-yl)-10-N,10-N-diphenyl-4-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine
CID 168855838
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
CID 176597963
10-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N,N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-amine
CID 168855693
N-(9,9-dimethylfluoren-2-yl)-N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine
CID 129118409
9,9-dimethyl-N-phenyl-N-[4-[10-[4-(N-phenylanilino)naphthalen-2-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-6-yl]phenyl]fluoren-2-amine
CID 168855769

Frequently Asked Questions

What is the IUPAC name of 4-N-(9,9-dimethylfluoren-2-yl)-4-N,10-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine?
The IUPAC name of 4-N-(9,9-dimethylfluoren-2-yl)-4-N,10-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine (CID 168855692) is 4-N-(9,9-dimethylfluoren-2-yl)-4-N,10-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine.
What is the SMILES notation for 4-N-(9,9-dimethylfluoren-2-yl)-4-N,10-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine?
The canonical SMILES for 4-N-(9,9-dimethylfluoren-2-yl)-4-N,10-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3cccc5ccc(Nc6ccccc6)c(c35)O4)cc21.
What is the InChIKey of 4-N-(9,9-dimethylfluoren-2-yl)-4-N,10-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine?
The InChIKey is WTKJRTQJWIENHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N2O/c1-43(2)37-19-10-9-17-33(37)34-23-21-32(27-38(34)43)45(30-15-7-4-8-16-30)31-22-25-40-36(26-31)35-18-11-12-28-20-24-39(42(46-40)41(28)35)44-29-13-5-3-6-14-29/h3-27,44H,1-2H3.
What are the key properties of 4-N-(9,9-dimethylfluoren-2-yl)-4-N,10-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine?
4-N-(9,9-dimethylfluoren-2-yl)-4-N,10-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine has a molecular weight of 592.74 g/mol, XLogP of 12.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(9,9-dimethylfluoren-2-yl)-4-N,10-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine is sourced from PubChem (CID 168855692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).