17-(9H-fluoren-2-yl)-21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene

C34H23N — CID 144919805

IUPAC17-(9H-fluoren-2-yl)-21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
SMILESCn1c2ccc(-c3ccc4c(c3)Cc3ccccc3-4)cc2c2c3ccccc3c3ccccc3c21
InChIInChI=1S/C34H23N/c1-35-32-17-15-22(21-14-16-26-24(18-21)19-23-8-2-3-9-25(23)26)20-31(32)33-29-12-6-4-10-27(29)28-11-5-7-13-30(28)34(33)35/h2-18,20H,19H2,1H3
InChIKeyRWMMMXAMTUNPJV-UHFFFAOYSA-N
MW445.56 g/mol
LogP8.88
Rot. Bonds1

About 17-(9H-fluoren-2-yl)-21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene

17-(9H-fluoren-2-yl)-21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene (PubChem CID 144919805) has the molecular formula C34H23N and a molecular weight of 445.56 g/mol. Its IUPAC name is 17-(9H-fluoren-2-yl)-21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene.

Molecular Properties

Compound Name17-(9H-fluoren-2-yl)-21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
PubChem CID144919805
Molecular FormulaC34H23N
Molecular Weight445.56 g/mol
Exact Mass445.18
IUPAC Name17-(9H-fluoren-2-yl)-21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
SMILESCn1c2ccc(-c3ccc4c(c3)Cc3ccccc3-4)cc2c2c3ccccc3c3ccccc3c21
InChIInChI=1S/C34H23N/c1-35-32-17-15-22(21-14-16-26-24(18-21)19-23-8-2-3-9-25(23)26)20-31(32)33-29-12-6-4-10-27(29)28-11-5-7-13-30(28)34(33)35/h2-18,20H,19H2,1H3
InChIKeyRWMMMXAMTUNPJV-UHFFFAOYSA-N
XLogP8.88
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.56
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 17-(9H-fluoren-2-yl)-21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene with MolForge

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Related Compounds

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21-methyl-17-(5-phenyl-4H-benzo[b]phosphindol-5-ium-3-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
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Frequently Asked Questions

What is the IUPAC name of 17-(9H-fluoren-2-yl)-21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene?
The IUPAC name of 17-(9H-fluoren-2-yl)-21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene (CID 144919805) is 17-(9H-fluoren-2-yl)-21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene.
What is the SMILES notation for 17-(9H-fluoren-2-yl)-21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene?
The canonical SMILES for 17-(9H-fluoren-2-yl)-21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene is Cn1c2ccc(-c3ccc4c(c3)Cc3ccccc3-4)cc2c2c3ccccc3c3ccccc3c21.
What is the InChIKey of 17-(9H-fluoren-2-yl)-21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene?
The InChIKey is RWMMMXAMTUNPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N/c1-35-32-17-15-22(21-14-16-26-24(18-21)19-23-8-2-3-9-25(23)26)20-31(32)33-29-12-6-4-10-27(29)28-11-5-7-13-30(28)34(33)35/h2-18,20H,19H2,1H3.
What are the key properties of 17-(9H-fluoren-2-yl)-21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene?
17-(9H-fluoren-2-yl)-21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene has a molecular weight of 445.56 g/mol, XLogP of 8.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(9H-fluoren-2-yl)-21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene is sourced from PubChem (CID 144919805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).