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

C30H27N — CID 170029769

IUPAC10,10,14,14-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
SMILESCC1(C)c2ccccc2Nc2cc3c(cc21)C(C)(C)c1cccc(-c2ccccc2)c1-3
InChIInChI=1S/C30H27N/c1-29(2)22-14-8-9-16-26(22)31-27-17-21-24(18-25(27)29)30(3,4)23-15-10-13-20(28(21)23)19-11-6-5-7-12-19/h5-18,31H,1-4H3
InChIKeyVEBMKMZAQWPDEB-UHFFFAOYSA-N
MW401.55 g/mol
LogP8.04
Rot. Bonds1

About 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

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 (PubChem CID 170029769) has the molecular formula C30H27N and a molecular weight of 401.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name10,10,14,14-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
PubChem CID170029769
Molecular FormulaC30H27N
Molecular Weight401.55 g/mol
Exact Mass401.21
IUPAC Name10,10,14,14-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
SMILESCC1(C)c2ccccc2Nc2cc3c(cc21)C(C)(C)c1cccc(-c2ccccc2)c1-3
InChIInChI=1S/C30H27N/c1-29(2)22-14-8-9-16-26(22)31-27-17-21-24(18-25(27)29)30(3,4)23-15-10-13-20(28(21)23)19-11-6-5-7-12-19/h5-18,31H,1-4H3
InChIKeyVEBMKMZAQWPDEB-UHFFFAOYSA-N
XLogP8.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 58.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

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CID 155153854
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2Nc2cc3c(cc21)C(C)(C)c1cccc(-c2ccccc2)c1-3.
What is the InChIKey of 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?
The InChIKey is VEBMKMZAQWPDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N/c1-29(2)22-14-8-9-16-26(22)31-27-17-21-24(18-25(27)29)30(3,4)23-15-10-13-20(28(21)23)19-11-6-5-7-12-19/h5-18,31H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 401.55 g/mol, XLogP of 8.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170029769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).