10,10-dimethylspiro[14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]

C34H25N — CID 146268279

IUPAC10,10-dimethylspiro[14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)Nc1ccccc1C31c2ccccc2-c2ccccc21
InChIInChI=1S/C34H25N/c1-33(2)25-14-6-3-13-23(25)24-19-30-32(20-29(24)33)35-31-18-10-9-17-28(31)34(30)26-15-7-4-11-21(26)22-12-5-8-16-27(22)34/h3-20,35H,1-2H3
InChIKeySPVHDRXHOUVPMW-UHFFFAOYSA-N
MW447.58 g/mol
LogP8.41
Rot. Bonds

About 10,10-dimethylspiro[14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]

10,10-dimethylspiro[14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene] (PubChem CID 146268279) has the molecular formula C34H25N and a molecular weight of 447.58 g/mol. Its IUPAC name is 10,10-dimethylspiro[14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene].

Molecular Properties

Compound Name10,10-dimethylspiro[14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]
PubChem CID146268279
Molecular FormulaC34H25N
Molecular Weight447.58 g/mol
Exact Mass447.20
IUPAC Name10,10-dimethylspiro[14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)Nc1ccccc1C31c2ccccc2-c2ccccc21
InChIInChI=1S/C34H25N/c1-33(2)25-14-6-3-13-23(25)24-19-30-32(20-29(24)33)35-31-18-10-9-17-28(31)34(30)26-15-7-4-11-21(26)22-12-5-8-16-27(22)34/h3-20,35H,1-2H3
InChIKeySPVHDRXHOUVPMW-UHFFFAOYSA-N
XLogP8.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 58.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 10,10-dimethylspiro[14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene] with MolForge

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Related Compounds

spiro[10H-acridine-9,9'-fluorene]
CID 13293439
9-(9,9-dimethylfluoren-3-yl)-9-methyl-10H-acridine
CID 153463073
9,9'-spirobi[10H-acridine]
CID 11210173
11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene
CID 66805182
10,10-dimethyl-14-thia-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 145348003
9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 142504362
bis(N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine);N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161294273
9,9-dimethylfluoren-2-amine;sulfane
CID 142283327
3'-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 156902667
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
CID 140720702
CID 140720702
10,10,14,14-tetramethyl-5-phenyl-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 170029769

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethylspiro[14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]?
The IUPAC name of 10,10-dimethylspiro[14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene] (CID 146268279) is 10,10-dimethylspiro[14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene].
What is the SMILES notation for 10,10-dimethylspiro[14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]?
The canonical SMILES for 10,10-dimethylspiro[14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene] is CC1(C)c2ccccc2-c2cc3c(cc21)Nc1ccccc1C31c2ccccc2-c2ccccc21.
What is the InChIKey of 10,10-dimethylspiro[14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]?
The InChIKey is SPVHDRXHOUVPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N/c1-33(2)25-14-6-3-13-23(25)24-19-30-32(20-29(24)33)35-31-18-10-9-17-28(31)34(30)26-15-7-4-11-21(26)22-12-5-8-16-27(22)34/h3-20,35H,1-2H3.
What are the key properties of 10,10-dimethylspiro[14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]?
10,10-dimethylspiro[14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene] has a molecular weight of 447.58 g/mol, XLogP of 8.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethylspiro[14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene] is sourced from PubChem (CID 146268279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).