6-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.5]nonane

C30H32N2 — CID 164924047

IUPAC6-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.5]nonane
SMILESc1ccc(C2=C(c3ccc(N4CCCC5(CNC5)C4)cc3)c3ccccc3CCC2)cc1
InChIInChI=1S/C30H32N2/c1-2-8-23(9-3-1)28-13-6-11-24-10-4-5-12-27(24)29(28)25-14-16-26(17-15-25)32-19-7-18-30(22-32)20-31-21-30/h1-5,8-10,12,14-17,31H,6-7,11,13,18-22H2
InChIKeyAPWQFFQLAQLWGO-UHFFFAOYSA-N
MW420.60 g/mol
LogP6.17
Rot. Bonds3

About 6-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.5]nonane

6-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.5]nonane (PubChem CID 164924047) has the molecular formula C30H32N2 and a molecular weight of 420.60 g/mol. Its IUPAC name is 6-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name6-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.5]nonane
PubChem CID164924047
Molecular FormulaC30H32N2
Molecular Weight420.60 g/mol
Exact Mass420.26
IUPAC Name6-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.5]nonane
SMILESc1ccc(C2=C(c3ccc(N4CCCC5(CNC5)C4)cc3)c3ccccc3CCC2)cc1
InChIInChI=1S/C30H32N2/c1-2-8-23(9-3-1)28-13-6-11-24-10-4-5-12-27(24)29(28)25-14-16-26(17-15-25)32-19-7-18-30(22-32)20-31-21-30/h1-5,8-10,12,14-17,31H,6-7,11,13,18-22H2
InChIKeyAPWQFFQLAQLWGO-UHFFFAOYSA-N
XLogP6.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.3]heptane
CID 164924440
5-[4-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol
CID 171719803
2-[4-(6-cyclohexa-1,3-dien-1-yl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,10-diazaspiro[5.6]dodecane
CID 164922943
2-[2-[4-(2-hydroxy-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,8-diazaspiro[3.7]undecan-8-yl]acetic acid
CID 164923544
2-[2-[4-(2-hydroxy-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,7-diazaspiro[3.4]octan-7-yl]acetic acid
CID 171719843
5-[4-[4-(3-aminopropyl)-4-propylazepan-1-yl]phenyl]-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-2-ol
CID 164923029
3-[4-[6-(3-hydroxyphenyl)-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenyl]prop-2-enoic acid
CID 69320041
2,3-diphenylcyclohex-2-en-1-one
CID 2748361
4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenol;[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl] trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate
CID 160940514
3-[6-(2,4-dichlorophenyl)-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenol
CID 176863835
5-[4-[4-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]ethyl]piperidin-1-yl]phenyl]-6-phenyl-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid
CID 170450352
(5R,6S)-5-[4-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 164923491

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.5]nonane?
The IUPAC name of 6-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.5]nonane (CID 164924047) is 6-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.5]nonane.
What is the SMILES notation for 6-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.5]nonane?
The canonical SMILES for 6-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.5]nonane is c1ccc(C2=C(c3ccc(N4CCCC5(CNC5)C4)cc3)c3ccccc3CCC2)cc1.
What is the InChIKey of 6-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.5]nonane?
The InChIKey is APWQFFQLAQLWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2/c1-2-8-23(9-3-1)28-13-6-11-24-10-4-5-12-27(24)29(28)25-14-16-26(17-15-25)32-19-7-18-30(22-32)20-31-21-30/h1-5,8-10,12,14-17,31H,6-7,11,13,18-22H2.
What are the key properties of 6-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.5]nonane?
6-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.5]nonane has a molecular weight of 420.60 g/mol, XLogP of 6.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenyl]-2,6-diazaspiro[3.5]nonane is sourced from PubChem (CID 164924047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).