spiro[3,4-dihydrofluorene-9,14'-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene]

C31H21N — CID 167118030

IUPACspiro[3,4-dihydrofluorene-9,14'-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene]
SMILESC1=CC2=C(CC1)c1ccccc1C21c2ccccc2-c2c1ccc1[nH]c3ccccc3c21
InChIInChI=1S/C31H21N/c1-5-13-23-19(9-1)20-10-2-6-14-24(20)31(23)25-15-7-3-11-21(25)29-26(31)17-18-28-30(29)22-12-4-8-16-27(22)32-28/h1,3-9,11-18,32H,2,10H2
InChIKeyRURJAHBRWOCYLH-UHFFFAOYSA-N
MW407.52 g/mol
LogP7.75
Rot. Bonds

About spiro[3,4-dihydrofluorene-9,14'-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene]

spiro[3,4-dihydrofluorene-9,14'-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene] (PubChem CID 167118030) has the molecular formula C31H21N and a molecular weight of 407.52 g/mol. Its IUPAC name is spiro[3,4-dihydrofluorene-9,14'-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene].

Molecular Properties

Compound Namespiro[3,4-dihydrofluorene-9,14'-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene]
PubChem CID167118030
Molecular FormulaC31H21N
Molecular Weight407.52 g/mol
Exact Mass407.17
IUPAC Namespiro[3,4-dihydrofluorene-9,14'-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene]
SMILESC1=CC2=C(CC1)c1ccccc1C21c2ccccc2-c2c1ccc1[nH]c3ccccc3c21
InChIInChI=1S/C31H21N/c1-5-13-23-19(9-1)20-10-2-6-14-24(20)31(23)25-15-7-3-11-21(25)29-26(31)17-18-28-30(29)22-12-4-8-16-27(22)32-28/h1,3-9,11-18,32H,2,10H2
InChIKeyRURJAHBRWOCYLH-UHFFFAOYSA-N
XLogP7.75
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 57.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze spiro[3,4-dihydrofluorene-9,14'-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene] with MolForge

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Related Compounds

N-phenyl-N-[4-[6-[4-(N-spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-ylanilino)phenyl]-9H-carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 89069320
spiro[3,4-dihydrofluorene-9,5'-indeno[1,2-b]pyridine]
CID 67968403
N,N-bis(9,9-dimethylfluoren-2-yl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 162362975
N-naphthalen-2-yl-N-phenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 145291040
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
[7'-(9,9'-spirobi[fluorene]-2-carbonyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone
CID 88890935
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
7-[phenyl(spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phosphoryl]spiro[3,4-dihydrofluorene-9,9'-fluorene]
CID 129311396
9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;ethane
CID 145125960
4-[4-[9-(4-phenylphenyl)-3,4-dihydrofluoren-9-yl]phenyl]dibenzofuran
CID 66656897
N-[(2Z,4Z)-5-spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-ylpenta-2,4-dienyl]-3,4-dihydronaphthalen-2-amine
CID 145291017
3'-bromo-12'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[3,4-dihydrofluorene-9,7'-indeno[1,2-a]carbazole]
CID 118613534

Frequently Asked Questions

What is the IUPAC name of spiro[3,4-dihydrofluorene-9,14'-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene]?
The IUPAC name of spiro[3,4-dihydrofluorene-9,14'-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene] (CID 167118030) is spiro[3,4-dihydrofluorene-9,14'-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene].
What is the SMILES notation for spiro[3,4-dihydrofluorene-9,14'-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene]?
The canonical SMILES for spiro[3,4-dihydrofluorene-9,14'-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene] is C1=CC2=C(CC1)c1ccccc1C21c2ccccc2-c2c1ccc1[nH]c3ccccc3c21.
What is the InChIKey of spiro[3,4-dihydrofluorene-9,14'-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene]?
The InChIKey is RURJAHBRWOCYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N/c1-5-13-23-19(9-1)20-10-2-6-14-24(20)31(23)25-15-7-3-11-21(25)29-26(31)17-18-28-30(29)22-12-4-8-16-27(22)32-28/h1,3-9,11-18,32H,2,10H2.
What are the key properties of spiro[3,4-dihydrofluorene-9,14'-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene]?
spiro[3,4-dihydrofluorene-9,14'-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene] has a molecular weight of 407.52 g/mol, XLogP of 7.75, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,4-dihydrofluorene-9,14'-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene] is sourced from PubChem (CID 167118030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).