(4'bS)-4'b,7'-dimethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-8aH-fluorene]

C25H20N2 — CID 121420799

IUPAC(4'bS)-4'b,7'-dimethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-8aH-fluorene]
SMILESCC1=CC2C3(c4ccccc4[C@@]2(C)C=C1)c1cccnc1-c1ncccc13
InChIInChI=1S/C25H20N2/c1-16-11-12-24(2)17-7-3-4-8-18(17)25(21(24)15-16)19-9-5-13-26-22(19)23-20(25)10-6-14-27-23/h3-15,21H,1-2H3/t21?,24-/m1/s1
InChIKeyIOYZDKQTELXYNX-MQNHUJCZSA-N
MW348.45 g/mol
LogP5.20
Rot. Bonds

About (4'bS)-4'b,7'-dimethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-8aH-fluorene]

(4'bS)-4'b,7'-dimethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-8aH-fluorene] (PubChem CID 121420799) has the molecular formula C25H20N2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (4'bS)-4'b,7'-dimethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-8aH-fluorene].

Molecular Properties

Compound Name(4'bS)-4'b,7'-dimethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-8aH-fluorene]
PubChem CID121420799
Molecular FormulaC25H20N2
Molecular Weight348.45 g/mol
Exact Mass348.16
IUPAC Name(4'bS)-4'b,7'-dimethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-8aH-fluorene]
SMILESCC1=CC2C3(c4ccccc4[C@@]2(C)C=C1)c1cccnc1-c1ncccc13
InChIInChI=1S/C25H20N2/c1-16-11-12-24(2)17-7-3-4-8-18(17)25(21(24)15-16)19-9-5-13-26-22(19)23-20(25)10-6-14-27-23/h3-15,21H,1-2H3/t21?,24-/m1/s1
InChIKeyIOYZDKQTELXYNX-MQNHUJCZSA-N
XLogP5.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4'bS)-4'b,7'-dimethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-8aH-fluorene] with MolForge

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Related Compounds

benzene-1,2-diol;platinum;spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-fluorene]
CID 59661482
2-(1,4-dimethylcyclohexa-2,4-dien-1-yl)phenol
CID 140996637
8,8-bis(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58979966
4-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 59747241
spiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,1'-cyclopropane]
CID 100944087
5,5,9-trimethylindeno[1,2-b]pyridine
CID 58050073
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CID 170777086
5,5-dichloroindeno[1,2-b]pyridine
CID 714437
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CID 164705526
(5S,6S)-5,6-bis(4-phenylphenyl)-1,10-phenanthroline-5,6-diol
CID 102167961
hexakis(6,9,15,17,18,20-hexazapentacyclo[12.3.3.01,14.02,7.08,13]icosa-2(7),3,5,8(13),9,11-hexaene-16,19-dione);bis(nickel(2+));tetrachloride;tetracosahydrate
CID 139204325
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Frequently Asked Questions

What is the IUPAC name of (4'bS)-4'b,7'-dimethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-8aH-fluorene]?
The IUPAC name of (4'bS)-4'b,7'-dimethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-8aH-fluorene] (CID 121420799) is (4'bS)-4'b,7'-dimethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-8aH-fluorene].
What is the SMILES notation for (4'bS)-4'b,7'-dimethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-8aH-fluorene]?
The canonical SMILES for (4'bS)-4'b,7'-dimethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-8aH-fluorene] is CC1=CC2C3(c4ccccc4[C@@]2(C)C=C1)c1cccnc1-c1ncccc13.
What is the InChIKey of (4'bS)-4'b,7'-dimethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-8aH-fluorene]?
The InChIKey is IOYZDKQTELXYNX-MQNHUJCZSA-N. The full InChI is InChI=1S/C25H20N2/c1-16-11-12-24(2)17-7-3-4-8-18(17)25(21(24)15-16)19-9-5-13-26-22(19)23-20(25)10-6-14-27-23/h3-15,21H,1-2H3/t21?,24-/m1/s1.
What are the key properties of (4'bS)-4'b,7'-dimethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-8aH-fluorene]?
(4'bS)-4'b,7'-dimethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-8aH-fluorene] has a molecular weight of 348.45 g/mol, XLogP of 5.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4'bS)-4'b,7'-dimethylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-8aH-fluorene] is sourced from PubChem (CID 121420799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).