phenyl-phenylimino-spiro[4b,5,6,7,8,8a-hexahydrofluorene-9,9'-fluorene]-2-yl-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl-λ5-phosphane

C62H48NP — CID 142983743

IUPACphenyl-phenylimino-spiro[4b,5,6,7,8,8a-hexahydrofluorene-9,9'-fluorene]-2-yl-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl-λ5-phosphane
SMILESC1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2-c2ccc(P(=Nc3ccccc3)(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)C3CCCCC43)cc21
InChIInChI=1S/C62H48NP/c1-3-19-41(20-4-1)63-64(42-21-5-2-6-22-42,43-35-37-51-49-27-11-17-33-57(49)61(59(51)39-43)53-29-13-7-23-45(53)46-24-8-14-30-54(46)61)44-36-38-52-50-28-12-18-34-58(50)62(60(52)40-44)55-31-15-9-25-47(55)48-26-10-16-32-56(48)62/h1-11,13,15-17,19-27,29,31-33,35-40,50,58H,12,14,18,28,30,34H2
InChIKeyRBTYGMPUTJDWKN-UHFFFAOYSA-N
MW838.05 g/mol
LogP14.53
Rot. Bonds4

About phenyl-phenylimino-spiro[4b,5,6,7,8,8a-hexahydrofluorene-9,9'-fluorene]-2-yl-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl-λ5-phosphane

phenyl-phenylimino-spiro[4b,5,6,7,8,8a-hexahydrofluorene-9,9'-fluorene]-2-yl-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl-λ5-phosphane (PubChem CID 142983743) has the molecular formula C62H48NP and a molecular weight of 838.05 g/mol. Its IUPAC name is phenyl-phenylimino-spiro[4b,5,6,7,8,8a-hexahydrofluorene-9,9'-fluorene]-2-yl-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl-λ5-phosphane.

Molecular Properties

Compound Namephenyl-phenylimino-spiro[4b,5,6,7,8,8a-hexahydrofluorene-9,9'-fluorene]-2-yl-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl-λ5-phosphane
PubChem CID142983743
Molecular FormulaC62H48NP
Molecular Weight838.05 g/mol
Exact Mass837.35
IUPAC Namephenyl-phenylimino-spiro[4b,5,6,7,8,8a-hexahydrofluorene-9,9'-fluorene]-2-yl-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl-λ5-phosphane
SMILESC1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2-c2ccc(P(=Nc3ccccc3)(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)C3CCCCC43)cc21
InChIInChI=1S/C62H48NP/c1-3-19-41(20-4-1)63-64(42-21-5-2-6-22-42,43-35-37-51-49-27-11-17-33-57(49)61(59(51)39-43)53-29-13-7-23-45(53)46-24-8-14-30-54(46)61)44-36-38-52-50-28-12-18-34-58(50)62(60(52)40-44)55-31-15-9-25-47(55)48-26-10-16-32-56(48)62/h1-11,13,15-17,19-27,29,31-33,35-40,50,58H,12,14,18,28,30,34H2
InChIKeyRBTYGMPUTJDWKN-UHFFFAOYSA-N
XLogP14.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.05
LogP ≤ 514.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze phenyl-phenylimino-spiro[4b,5,6,7,8,8a-hexahydrofluorene-9,9'-fluorene]-2-yl-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl-λ5-phosphane with MolForge

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Related Compounds

6-benzylspiro[2,3,3a,8b-tetrahydro-1H-cyclopenta[a]indene-4,9'-fluorene]
CID 162273296
N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 166861507
7-[phenyl(spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phosphoryl]spiro[3,4-dihydrofluorene-9,9'-fluorene]
CID 129311396
9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-9-(4-methylphenyl)fluorene
CID 145328119
(2R)-2,7-bis(diphenylphosphoryl)-2'-methylspiro[1,2,3,4,4a,9a-hexahydrofluorene-9,9'-fluorene]
CID 134550587
7-phenyl-9-[3-(3-phenylphenyl)phenyl]-9-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-1,2-dihydrofluorene
CID 145189166
spiro[3H-cyclopenta[a]indene-4,9'-fluorene]
CID 58879546
7-N'-(2,5-dimethylcyclohex-3-en-1-yl)-2-N'-(3-methylphenyl)-2-N',7-N'-diphenylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2',7'-diamine
CID 175611283
2-dibenzofuran-1-yl-4-phenyl-6-(8-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yldibenzofuran-1-yl)-1,3,5-triazine
CID 174284587
1-N-(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)-4-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-ylbenzene-1,4-diamine oxide
CID 163766448
CID 145464381
CID 145464381
10-phenyl-2-(10'-phenylspiro[1,2-dihydrofluorene-9,9'-acridine]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 142356343

Frequently Asked Questions

What is the IUPAC name of phenyl-phenylimino-spiro[4b,5,6,7,8,8a-hexahydrofluorene-9,9'-fluorene]-2-yl-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl-λ5-phosphane?
The IUPAC name of phenyl-phenylimino-spiro[4b,5,6,7,8,8a-hexahydrofluorene-9,9'-fluorene]-2-yl-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl-λ5-phosphane (CID 142983743) is phenyl-phenylimino-spiro[4b,5,6,7,8,8a-hexahydrofluorene-9,9'-fluorene]-2-yl-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl-λ5-phosphane.
What is the SMILES notation for phenyl-phenylimino-spiro[4b,5,6,7,8,8a-hexahydrofluorene-9,9'-fluorene]-2-yl-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl-λ5-phosphane?
The canonical SMILES for phenyl-phenylimino-spiro[4b,5,6,7,8,8a-hexahydrofluorene-9,9'-fluorene]-2-yl-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl-λ5-phosphane is C1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2-c2ccc(P(=Nc3ccccc3)(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)C3CCCCC43)cc21.
What is the InChIKey of phenyl-phenylimino-spiro[4b,5,6,7,8,8a-hexahydrofluorene-9,9'-fluorene]-2-yl-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl-λ5-phosphane?
The InChIKey is RBTYGMPUTJDWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H48NP/c1-3-19-41(20-4-1)63-64(42-21-5-2-6-22-42,43-35-37-51-49-27-11-17-33-57(49)61(59(51)39-43)53-29-13-7-23-45(53)46-24-8-14-30-54(46)61)44-36-38-52-50-28-12-18-34-58(50)62(60(52)40-44)55-31-15-9-25-47(55)48-26-10-16-32-56(48)62/h1-11,13,15-17,19-27,29,31-33,35-40,50,58H,12,14,18,28,30,34H2.
What are the key properties of phenyl-phenylimino-spiro[4b,5,6,7,8,8a-hexahydrofluorene-9,9'-fluorene]-2-yl-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl-λ5-phosphane?
phenyl-phenylimino-spiro[4b,5,6,7,8,8a-hexahydrofluorene-9,9'-fluorene]-2-yl-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl-λ5-phosphane has a molecular weight of 838.05 g/mol, XLogP of 14.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-phenylimino-spiro[4b,5,6,7,8,8a-hexahydrofluorene-9,9'-fluorene]-2-yl-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl-λ5-phosphane is sourced from PubChem (CID 142983743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).