N-(2-cyclohexa-2,4-dien-1-ylspiro[1,2,4a,6,7,9a-hexahydrofluorene-9,9'-5,6-dihydrofluorene]-2'-yl)-N-(3,4,5,6,7,8-hexahydronaphthalen-1-yl)-8,9-dihydrodibenzofuran-1-amine

C53H51NO — CID 139297185

IUPACN-(2-cyclohexa-2,4-dien-1-ylspiro[1,2,4a,6,7,9a-hexahydrofluorene-9,9'-5,6-dihydrofluorene]-2'-yl)-N-(3,4,5,6,7,8-hexahydronaphthalen-1-yl)-8,9-dihydrodibenzofuran-1-amine
SMILESC1=CCC(C2C=CC3C4=CCCC=C4C4(C5=C(CCC=C5)c5ccc(N(C6=CCCC7=C6CCCC7)c6cccc7oc8c(c67)CCC=C8)cc54)C3C2)C=C1
InChIInChI=1S/C53H51NO/c1-2-14-34(15-3-1)36-28-30-41-39-19-6-9-22-44(39)53(46(41)32-36)45-23-10-7-20-40(45)42-31-29-37(33-47(42)53)54(48-24-12-17-35-16-4-5-18-38(35)48)49-25-13-27-51-52(49)43-21-8-11-26-50(43)55-51/h1-3,10-11,13-14,19,22-31,33-34,36,41,46H,4-9,12,15-18,20-21,32H2
InChIKeyFRVQSZVRBKVZEV-UHFFFAOYSA-N
MW718.00 g/mol
LogP14.03
Rot. Bonds4

About N-(2-cyclohexa-2,4-dien-1-ylspiro[1,2,4a,6,7,9a-hexahydrofluorene-9,9'-5,6-dihydrofluorene]-2'-yl)-N-(3,4,5,6,7,8-hexahydronaphthalen-1-yl)-8,9-dihydrodibenzofuran-1-amine

N-(2-cyclohexa-2,4-dien-1-ylspiro[1,2,4a,6,7,9a-hexahydrofluorene-9,9'-5,6-dihydrofluorene]-2'-yl)-N-(3,4,5,6,7,8-hexahydronaphthalen-1-yl)-8,9-dihydrodibenzofuran-1-amine (PubChem CID 139297185) has the molecular formula C53H51NO and a molecular weight of 718.00 g/mol. Its IUPAC name is N-(2-cyclohexa-2,4-dien-1-ylspiro[1,2,4a,6,7,9a-hexahydrofluorene-9,9'-5,6-dihydrofluorene]-2'-yl)-N-(3,4,5,6,7,8-hexahydronaphthalen-1-yl)-8,9-dihydrodibenzofuran-1-amine.

Molecular Properties

Compound NameN-(2-cyclohexa-2,4-dien-1-ylspiro[1,2,4a,6,7,9a-hexahydrofluorene-9,9'-5,6-dihydrofluorene]-2'-yl)-N-(3,4,5,6,7,8-hexahydronaphthalen-1-yl)-8,9-dihydrodibenzofuran-1-amine
PubChem CID139297185
Molecular FormulaC53H51NO
Molecular Weight718.00 g/mol
Exact Mass717.40
IUPAC NameN-(2-cyclohexa-2,4-dien-1-ylspiro[1,2,4a,6,7,9a-hexahydrofluorene-9,9'-5,6-dihydrofluorene]-2'-yl)-N-(3,4,5,6,7,8-hexahydronaphthalen-1-yl)-8,9-dihydrodibenzofuran-1-amine
SMILESC1=CCC(C2C=CC3C4=CCCC=C4C4(C5=C(CCC=C5)c5ccc(N(C6=CCCC7=C6CCCC7)c6cccc7oc8c(c67)CCC=C8)cc54)C3C2)C=C1
InChIInChI=1S/C53H51NO/c1-2-14-34(15-3-1)36-28-30-41-39-19-6-9-22-44(39)53(46(41)32-36)45-23-10-7-20-40(45)42-31-29-37(33-47(42)53)54(48-24-12-17-35-16-4-5-18-38(35)48)49-25-13-27-51-52(49)43-21-8-11-26-50(43)55-51/h1-3,10-11,13-14,19,22-31,33-34,36,41,46H,4-9,12,15-18,20-21,32H2
InChIKeyFRVQSZVRBKVZEV-UHFFFAOYSA-N
XLogP14.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.00
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(2-cyclohexa-2,4-dien-1-ylspiro[1,2,4a,6,7,9a-hexahydrofluorene-9,9'-5,6-dihydrofluorene]-2'-yl)-N-(3,4,5,6,7,8-hexahydronaphthalen-1-yl)-8,9-dihydrodibenzofuran-1-amine with MolForge

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Related Compounds

1-N-(6,7-dihydrodibenzofuran-1-yl)-3-N-(8,9-dihydrodibenzofuran-1-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine
CID 139384344
N-(3-phenylphenyl)-N-(7-phenylspiro[2,3-dihydrofluorene-9,9'-fluorene]-2'-yl)-10H-cyclohepta[b][1]benzofuran-1-amine
CID 139297509
N,N-bis(9,9-dimethylfluoren-2-yl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 162362975
N-[4-(8,9-dihydrodibenzofuran-1-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 142481157
N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 167095079
2,4-bis(3-phenylphenyl)-6-(4-spiro[3,4-dihydrofluorene-9,9'-8,8a-dihydroxanthene]-3'-ylphenyl)-1,3,5-triazine
CID 130379921
4-N-(9-cyclohexa-2,4-dien-1-yl-3,4,5,6-tetrahydrocarbazol-3-yl)-4-N-(cyclohexen-1-yl)-2-N'-cyclohex-3-en-1-yl-2-N'-naphthalen-1-ylspiro[1,2,4b,8a-tetrahydrofluorene-9,9'-7,8-dihydrofluorene]-2',4-diamine
CID 135218372
N-naphthalen-2-yl-N-phenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 145291040
2-N-cyclohexa-1,5-dien-3-yn-1-yl-5-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-2-N-(9,9-dimethylfluoren-2-yl)-5-N-phenylspiro[5a,9a-dihydrobenzo[b]fluorene-11,1'-cyclopentane]-2,5-diamine
CID 145396825
N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 143240280
N-(2-cyclohexa-1,5-dien-1-ylphenyl)-N-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-2-yl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-amine
CID 167132746
N-phenyl-N-[5-[(15S)-spiro[14,23-dioxahexacyclo[11.10.0.03,11.04,9.015,22.016,21]tricosa-1(13),2,4,6,8,11,17,19-octaene-10,9'-3,4-dihydrofluorene]-20-yl]cyclohexa-1,5-dien-1-yl]dibenzofuran-4-amine
CID 138581697

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexa-2,4-dien-1-ylspiro[1,2,4a,6,7,9a-hexahydrofluorene-9,9'-5,6-dihydrofluorene]-2'-yl)-N-(3,4,5,6,7,8-hexahydronaphthalen-1-yl)-8,9-dihydrodibenzofuran-1-amine?
The IUPAC name of N-(2-cyclohexa-2,4-dien-1-ylspiro[1,2,4a,6,7,9a-hexahydrofluorene-9,9'-5,6-dihydrofluorene]-2'-yl)-N-(3,4,5,6,7,8-hexahydronaphthalen-1-yl)-8,9-dihydrodibenzofuran-1-amine (CID 139297185) is N-(2-cyclohexa-2,4-dien-1-ylspiro[1,2,4a,6,7,9a-hexahydrofluorene-9,9'-5,6-dihydrofluorene]-2'-yl)-N-(3,4,5,6,7,8-hexahydronaphthalen-1-yl)-8,9-dihydrodibenzofuran-1-amine.
What is the SMILES notation for N-(2-cyclohexa-2,4-dien-1-ylspiro[1,2,4a,6,7,9a-hexahydrofluorene-9,9'-5,6-dihydrofluorene]-2'-yl)-N-(3,4,5,6,7,8-hexahydronaphthalen-1-yl)-8,9-dihydrodibenzofuran-1-amine?
The canonical SMILES for N-(2-cyclohexa-2,4-dien-1-ylspiro[1,2,4a,6,7,9a-hexahydrofluorene-9,9'-5,6-dihydrofluorene]-2'-yl)-N-(3,4,5,6,7,8-hexahydronaphthalen-1-yl)-8,9-dihydrodibenzofuran-1-amine is C1=CCC(C2C=CC3C4=CCCC=C4C4(C5=C(CCC=C5)c5ccc(N(C6=CCCC7=C6CCCC7)c6cccc7oc8c(c67)CCC=C8)cc54)C3C2)C=C1.
What is the InChIKey of N-(2-cyclohexa-2,4-dien-1-ylspiro[1,2,4a,6,7,9a-hexahydrofluorene-9,9'-5,6-dihydrofluorene]-2'-yl)-N-(3,4,5,6,7,8-hexahydronaphthalen-1-yl)-8,9-dihydrodibenzofuran-1-amine?
The InChIKey is FRVQSZVRBKVZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H51NO/c1-2-14-34(15-3-1)36-28-30-41-39-19-6-9-22-44(39)53(46(41)32-36)45-23-10-7-20-40(45)42-31-29-37(33-47(42)53)54(48-24-12-17-35-16-4-5-18-38(35)48)49-25-13-27-51-52(49)43-21-8-11-26-50(43)55-51/h1-3,10-11,13-14,19,22-31,33-34,36,41,46H,4-9,12,15-18,20-21,32H2.
What are the key properties of N-(2-cyclohexa-2,4-dien-1-ylspiro[1,2,4a,6,7,9a-hexahydrofluorene-9,9'-5,6-dihydrofluorene]-2'-yl)-N-(3,4,5,6,7,8-hexahydronaphthalen-1-yl)-8,9-dihydrodibenzofuran-1-amine?
N-(2-cyclohexa-2,4-dien-1-ylspiro[1,2,4a,6,7,9a-hexahydrofluorene-9,9'-5,6-dihydrofluorene]-2'-yl)-N-(3,4,5,6,7,8-hexahydronaphthalen-1-yl)-8,9-dihydrodibenzofuran-1-amine has a molecular weight of 718.00 g/mol, XLogP of 14.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexa-2,4-dien-1-ylspiro[1,2,4a,6,7,9a-hexahydrofluorene-9,9'-5,6-dihydrofluorene]-2'-yl)-N-(3,4,5,6,7,8-hexahydronaphthalen-1-yl)-8,9-dihydrodibenzofuran-1-amine is sourced from PubChem (CID 139297185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).