N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-3'-amine

C61H45NO — CID 123599290

IUPACN-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-3'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(C3=CC=C4c5ccccc5C(C)(C)C4C3)c3ccc4c(c3)oc3cc5c(cc34)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)cc21
InChIInChI=1S/C61H45NO/c1-59(2)49-20-10-5-15-39(49)44-28-25-36(31-54(44)59)62(37-26-29-45-40-16-6-11-21-50(40)60(3,4)55(45)32-37)38-27-30-46-48-34-56-47(35-58(48)63-57(46)33-38)43-19-9-14-24-53(43)61(56)51-22-12-7-17-41(51)42-18-8-13-23-52(42)61/h5-31,33-35,55H,32H2,1-4H3
InChIKeyFBCWCCKHOHCQEG-UHFFFAOYSA-N
MW808.04 g/mol
LogP15.65
Rot. Bonds3

About N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-3'-amine

N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-3'-amine (PubChem CID 123599290) has the molecular formula C61H45NO and a molecular weight of 808.04 g/mol. Its IUPAC name is N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-3'-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-3'-amine
PubChem CID123599290
Molecular FormulaC61H45NO
Molecular Weight808.04 g/mol
Exact Mass807.35
IUPAC NameN-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-3'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(C3=CC=C4c5ccccc5C(C)(C)C4C3)c3ccc4c(c3)oc3cc5c(cc34)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)cc21
InChIInChI=1S/C61H45NO/c1-59(2)49-20-10-5-15-39(49)44-28-25-36(31-54(44)59)62(37-26-29-45-40-16-6-11-21-50(40)60(3,4)55(45)32-37)38-27-30-46-48-34-56-47(35-58(48)63-57(46)33-38)43-19-9-14-24-53(43)61(56)51-22-12-7-17-41(51)42-18-8-13-23-52(42)61/h5-31,33-35,55H,32H2,1-4H3
InChIKeyFBCWCCKHOHCQEG-UHFFFAOYSA-N
XLogP15.65
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.04
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-3'-amine with MolForge

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Related Compounds

N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluoreno[3,2-b][1]benzofuran-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 130463065
N-(9,9-dimethylfluoren-2-yl)-17-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 171050430
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluoreno[3,2-b][1]benzofuran-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 130463071
N-dibenzofuran-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine
CID 163804451
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluoreno[3,2-b][1]benzothiole-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yldibenzofuran-3-amine
CID 130463526
N-(9,9-dimethylfluoren-2-yl)-7-[7-[N-(9,9-dimethylfluoren-2-yl)-4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)anilino]-9,9-dimethylfluoren-2-yl]-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-3-amine
CID 146540137
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130463025
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yldibenzofuran-3-amine
CID 130463385
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
N,N-bis(9,9-dimethylfluoren-2-yl)-7-ethenyldibenzofuran-3-amine
CID 90360978
N-(9,9-dimethylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130462998
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[fluoreno[2,3-b][1]benzofuran-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130463020

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-3'-amine?
The IUPAC name of N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-3'-amine (CID 123599290) is N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-3'-amine.
What is the SMILES notation for N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-3'-amine?
The canonical SMILES for N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-3'-amine is CC1(C)c2ccccc2-c2ccc(N(C3=CC=C4c5ccccc5C(C)(C)C4C3)c3ccc4c(c3)oc3cc5c(cc34)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)cc21.
What is the InChIKey of N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-3'-amine?
The InChIKey is FBCWCCKHOHCQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H45NO/c1-59(2)49-20-10-5-15-39(49)44-28-25-36(31-54(44)59)62(37-26-29-45-40-16-6-11-21-50(40)60(3,4)55(45)32-37)38-27-30-46-48-34-56-47(35-58(48)63-57(46)33-38)43-19-9-14-24-53(43)61(56)51-22-12-7-17-41(51)42-18-8-13-23-52(42)61/h5-31,33-35,55H,32H2,1-4H3.
What are the key properties of N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-3'-amine?
N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-3'-amine has a molecular weight of 808.04 g/mol, XLogP of 15.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-3'-amine is sourced from PubChem (CID 123599290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).