bis(N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine);N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine

C165H123N3 — CID 161294273

IUPACbis(N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine);N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/3C55H41N/c1-53(2)46-21-11-6-19-41(46)44-31-34(27-30-47(44)53)56(35-25-28-42-37-15-5-10-20-45(37)54(3,4)51(42)32-35)36-26-29-43-40-18-9-14-24-50(40)55(52(43)33-36)48-22-12-7-16-38(48)39-17-8-13-23-49(39)55;2*1-53(2)45-20-10-5-15-37(45)42-28-25-34(31-50(42)53)56(35-26-29-43-38-16-6-11-21-46(38)54(3,4)51(43)32-35)36-27-30-44-41-19-9-14-24-49(41)55(52(44)33-36)47-22-12-7-17-39(47)40-18-8-13-23-48(40)55/h3*5-33H,1-4H3
InChIKeyVGTPGGSAJWAZFB-UHFFFAOYSA-N
MW2147.82 g/mol
LogP42.34
Rot. Bonds9

About bis(N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine);N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine

bis(N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine);N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 161294273) has the molecular formula C165H123N3 and a molecular weight of 2147.82 g/mol. Its IUPAC name is bis(N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine);N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound Namebis(N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine);N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID161294273
Molecular FormulaC165H123N3
Molecular Weight2147.82 g/mol
Exact Mass2145.97
IUPAC Namebis(N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine);N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/3C55H41N/c1-53(2)46-21-11-6-19-41(46)44-31-34(27-30-47(44)53)56(35-25-28-42-37-15-5-10-20-45(37)54(3,4)51(42)32-35)36-26-29-43-40-18-9-14-24-50(40)55(52(43)33-36)48-22-12-7-16-38(48)39-17-8-13-23-49(39)55;2*1-53(2)45-20-10-5-15-37(45)42-28-25-34(31-50(42)53)56(35-26-29-43-38-16-6-11-21-46(38)54(3,4)51(43)32-35)36-27-30-44-41-19-9-14-24-49(41)55(52(44)33-36)47-22-12-7-17-39(47)40-18-8-13-23-48(40)55/h3*5-33H,1-4H3
InChIKeyVGTPGGSAJWAZFB-UHFFFAOYSA-N
XLogP42.34
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms168
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002147.82
LogP ≤ 542.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze bis(N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine);N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine with MolForge

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Related Compounds

4-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N-phenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667384
N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 129259092
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476546
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298633
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',7-N',7-N'-tris(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 58084629
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,N-bis(9,9-dimethylfluoren-3-yl)-7,9,9-trimethylfluoren-2-amine
CID 163882146
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 166663855
N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 134508270
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 146247632
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-amine
CID 134528078
2-N-(9,9-dimethylfluoren-3-yl)-2-N'-(2,3,4,5,6-pentadeuteriophenyl)-2-N,2-N'-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791512

Frequently Asked Questions

What is the IUPAC name of bis(N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine);N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of bis(N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine);N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine (CID 161294273) is bis(N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine);N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for bis(N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine);N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for bis(N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine);N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)ccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.
What is the InChIKey of bis(N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine);N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is VGTPGGSAJWAZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C55H41N/c1-53(2)46-21-11-6-19-41(46)44-31-34(27-30-47(44)53)56(35-25-28-42-37-15-5-10-20-45(37)54(3,4)51(42)32-35)36-26-29-43-40-18-9-14-24-50(40)55(52(43)33-36)48-22-12-7-16-38(48)39-17-8-13-23-49(39)55;2*1-53(2)45-20-10-5-15-37(45)42-28-25-34(31-50(42)53)56(35-26-29-43-38-16-6-11-21-46(38)54(3,4)51(43)32-35)36-27-30-44-41-19-9-14-24-49(41)55(52(44)33-36)47-22-12-7-17-39(47)40-18-8-13-23-48(40)55/h3*5-33H,1-4H3.
What are the key properties of bis(N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine);N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine?
bis(N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine);N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 2147.82 g/mol, XLogP of 42.34, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine);N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 161294273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).