18-propan-2-ylspiro[1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,9'-fluorene]-14-ol

C34H26N2O — CID 134561003

IUPAC18-propan-2-ylspiro[1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,9'-fluorene]-14-ol
SMILESCC(C)c1ccc2c(c1)N1c3ncccc3C3(c4ccccc4-c4ccccc43)c3cccc(c31)C2O
InChIInChI=1S/C34H26N2O/c1-20(2)21-16-17-24-30(19-21)36-31-25(32(24)37)11-7-14-28(31)34(29-15-8-18-35-33(29)36)26-12-5-3-9-22(26)23-10-4-6-13-27(23)34/h3-20,32,37H,1-2H3
InChIKeyJDRJDJBGFDWQBY-UHFFFAOYSA-N
MW478.60 g/mol
LogP7.75
Rot. Bonds1

About 18-propan-2-ylspiro[1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,9'-fluorene]-14-ol

18-propan-2-ylspiro[1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,9'-fluorene]-14-ol (PubChem CID 134561003) has the molecular formula C34H26N2O and a molecular weight of 478.60 g/mol. Its IUPAC name is 18-propan-2-ylspiro[1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,9'-fluorene]-14-ol.

Molecular Properties

Compound Name18-propan-2-ylspiro[1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,9'-fluorene]-14-ol
PubChem CID134561003
Molecular FormulaC34H26N2O
Molecular Weight478.60 g/mol
Exact Mass478.20
IUPAC Name18-propan-2-ylspiro[1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,9'-fluorene]-14-ol
SMILESCC(C)c1ccc2c(c1)N1c3ncccc3C3(c4ccccc4-c4ccccc43)c3cccc(c31)C2O
InChIInChI=1S/C34H26N2O/c1-20(2)21-16-17-24-30(19-21)36-31-25(32(24)37)11-7-14-28(31)34(29-15-8-18-35-33(29)36)26-12-5-3-9-22(26)23-10-4-6-13-27(23)34/h3-20,32,37H,1-2H3
InChIKeyJDRJDJBGFDWQBY-UHFFFAOYSA-N
XLogP7.75
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 57.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 18-propan-2-ylspiro[1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,9'-fluorene]-14-ol with MolForge

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Related Compounds

8,8-dimethyl-6-[(14-methyl-8,8-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-14-yl)methyl]-14,14-diphenyl-18-propan-2-yl-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene
CID 134560784
CID 138579740
CID 138579740
2-[9-[3-[9-[3-(9-imidazol-1-ylfluoren-9-yl)phenyl]fluoren-9-yl]phenyl]fluoren-9-yl]-4-propan-2-ylpyridine
CID 155113849
19-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[1,3-diazahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17(22),18,20-undecaene-16,9'-fluorene]
CID 169220562
10'-phenylspiro[anthracene-10,5'-benzo[b][1,8]naphthyridine]-9-one
CID 161296094
18-propan-2-yl-14λ4-thia-8λ6-selena-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene 8,8,14-trioxide
CID 140755099
CID 59181861
CID 59181861
1',3-di(propan-2-yl)-9,9'-spirobi[fluorene];1,6-di(propan-2-yl)-9,9'-spirobi[fluorene];1',8'-di(propan-2-yl)-9,9'-spirobi[fluorene];2,6-di(propan-2-yl)-9,9'-spirobi[fluorene];2',7'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,3'-di(propan-2-yl)-9,9'-spirobi[fluorene];3,6-di(propan-2-yl)-9,9'-spirobi[fluorene]
CID 159493232
CID 172510821
CID 172510821
CID 138579856
CID 138579856
5-[3-[9-[3,5-bis(10-pyridin-2-ylphenazin-5-yl)phenyl]fluoren-9-yl]-5-(10-pyridin-2-ylphenazin-5-yl)phenyl]-10-pyridin-2-ylphenazine
CID 58142012
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

Frequently Asked Questions

What is the IUPAC name of 18-propan-2-ylspiro[1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,9'-fluorene]-14-ol?
The IUPAC name of 18-propan-2-ylspiro[1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,9'-fluorene]-14-ol (CID 134561003) is 18-propan-2-ylspiro[1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,9'-fluorene]-14-ol.
What is the SMILES notation for 18-propan-2-ylspiro[1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,9'-fluorene]-14-ol?
The canonical SMILES for 18-propan-2-ylspiro[1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,9'-fluorene]-14-ol is CC(C)c1ccc2c(c1)N1c3ncccc3C3(c4ccccc4-c4ccccc43)c3cccc(c31)C2O.
What is the InChIKey of 18-propan-2-ylspiro[1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,9'-fluorene]-14-ol?
The InChIKey is JDRJDJBGFDWQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N2O/c1-20(2)21-16-17-24-30(19-21)36-31-25(32(24)37)11-7-14-28(31)34(29-15-8-18-35-33(29)36)26-12-5-3-9-22(26)23-10-4-6-13-27(23)34/h3-20,32,37H,1-2H3.
What are the key properties of 18-propan-2-ylspiro[1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,9'-fluorene]-14-ol?
18-propan-2-ylspiro[1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,9'-fluorene]-14-ol has a molecular weight of 478.60 g/mol, XLogP of 7.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 18-propan-2-ylspiro[1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,9'-fluorene]-14-ol is sourced from PubChem (CID 134561003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).