9,9,14,14-tetramethyl-21-azahexacyclo[11.8.0.02,10.03,8.04,21.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

C24H21N — CID 163905604

IUPAC9,9,14,14-tetramethyl-21-azahexacyclo[11.8.0.02,10.03,8.04,21.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
SMILESCC1(C)c2cccc3c2c2c1ccc1c2n3-c2ccccc2C1(C)C
InChIInChI=1S/C24H21N/c1-23(2)14-8-5-6-10-18(14)25-19-11-7-9-15-20(19)21-16(24(15,3)4)12-13-17(23)22(21)25/h5-13H,1-4H3
InChIKeyQNPYOCAKNRSEDU-UHFFFAOYSA-N
MW323.44 g/mol
LogP6.06
Rot. Bonds

About 9,9,14,14-tetramethyl-21-azahexacyclo[11.8.0.02,10.03,8.04,21.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene

9,9,14,14-tetramethyl-21-azahexacyclo[11.8.0.02,10.03,8.04,21.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (PubChem CID 163905604) has the molecular formula C24H21N and a molecular weight of 323.44 g/mol. Its IUPAC name is 9,9,14,14-tetramethyl-21-azahexacyclo[11.8.0.02,10.03,8.04,21.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.

Molecular Properties

Compound Name9,9,14,14-tetramethyl-21-azahexacyclo[11.8.0.02,10.03,8.04,21.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
PubChem CID163905604
Molecular FormulaC24H21N
Molecular Weight323.44 g/mol
Exact Mass323.17
IUPAC Name9,9,14,14-tetramethyl-21-azahexacyclo[11.8.0.02,10.03,8.04,21.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
SMILESCC1(C)c2cccc3c2c2c1ccc1c2n3-c2ccccc2C1(C)C
InChIInChI=1S/C24H21N/c1-23(2)14-8-5-6-10-18(14)25-19-11-7-9-15-20(19)21-16(24(15,3)4)12-13-17(23)22(21)25/h5-13H,1-4H3
InChIKeyQNPYOCAKNRSEDU-UHFFFAOYSA-N
XLogP6.06
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9,9,14,14-tetramethyl-21-azahexacyclo[11.8.0.02,10.03,8.04,21.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene with MolForge

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Related Compounds

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CID 12555402
13,13-dimethyl-N,N-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 67325570
5-carbazol-9-yl-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 67325809
9,9,10-trimethylacridine
CID 610451
4-N-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-yl)-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 71036435
N-(3,5-dimethylphenyl)-13,13-dimethyl-N-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 70892951
8,8-dimethyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene
CID 155791470
17-[5-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-17-yl)-4H-1,2,4-triazol-3-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
CID 146431256
4-(N-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)anilino)benzonitrile
CID 70885552
N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 70893086
13,13-dimethyl-5-naphthalen-1-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 70892852
13,13-dimethyl-5-(3,4,5-trimethylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 70892912

Frequently Asked Questions

What is the IUPAC name of 9,9,14,14-tetramethyl-21-azahexacyclo[11.8.0.02,10.03,8.04,21.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The IUPAC name of 9,9,14,14-tetramethyl-21-azahexacyclo[11.8.0.02,10.03,8.04,21.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene (CID 163905604) is 9,9,14,14-tetramethyl-21-azahexacyclo[11.8.0.02,10.03,8.04,21.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene.
What is the SMILES notation for 9,9,14,14-tetramethyl-21-azahexacyclo[11.8.0.02,10.03,8.04,21.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The canonical SMILES for 9,9,14,14-tetramethyl-21-azahexacyclo[11.8.0.02,10.03,8.04,21.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is CC1(C)c2cccc3c2c2c1ccc1c2n3-c2ccccc2C1(C)C.
What is the InChIKey of 9,9,14,14-tetramethyl-21-azahexacyclo[11.8.0.02,10.03,8.04,21.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
The InChIKey is QNPYOCAKNRSEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N/c1-23(2)14-8-5-6-10-18(14)25-19-11-7-9-15-20(19)21-16(24(15,3)4)12-13-17(23)22(21)25/h5-13H,1-4H3.
What are the key properties of 9,9,14,14-tetramethyl-21-azahexacyclo[11.8.0.02,10.03,8.04,21.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene?
9,9,14,14-tetramethyl-21-azahexacyclo[11.8.0.02,10.03,8.04,21.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene has a molecular weight of 323.44 g/mol, XLogP of 6.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,14,14-tetramethyl-21-azahexacyclo[11.8.0.02,10.03,8.04,21.015,20]henicosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene is sourced from PubChem (CID 163905604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).