20,20-dimethyl-16-phenyl-1,17-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene

C28H20N2 — CID 167226042

IUPAC20,20-dimethyl-16-phenyl-1,17-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene
SMILESCC1(C)c2cnc(-c3ccccc3)cc2-c2c1n1c3ccccc3c3cccc2c31
InChIInChI=1S/C28H20N2/c1-28(2)22-16-29-23(17-9-4-3-5-10-17)15-21(22)25-20-13-8-12-19-18-11-6-7-14-24(18)30(26(19)20)27(25)28/h3-16H,1-2H3
InChIKeyHAPXTZSQEPGJMW-UHFFFAOYSA-N
MW384.48 g/mol
LogP7.05
Rot. Bonds1

About 20,20-dimethyl-16-phenyl-1,17-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene

20,20-dimethyl-16-phenyl-1,17-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene (PubChem CID 167226042) has the molecular formula C28H20N2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 20,20-dimethyl-16-phenyl-1,17-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene.

Molecular Properties

Compound Name20,20-dimethyl-16-phenyl-1,17-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene
PubChem CID167226042
Molecular FormulaC28H20N2
Molecular Weight384.48 g/mol
Exact Mass384.16
IUPAC Name20,20-dimethyl-16-phenyl-1,17-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene
SMILESCC1(C)c2cnc(-c3ccccc3)cc2-c2c1n1c3ccccc3c3cccc2c31
InChIInChI=1S/C28H20N2/c1-28(2)22-16-29-23(17-9-4-3-5-10-17)15-21(22)25-20-13-8-12-19-18-11-6-7-14-24(18)30(26(19)20)27(25)28/h3-16H,1-2H3
InChIKeyHAPXTZSQEPGJMW-UHFFFAOYSA-N
XLogP7.05
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 20,20-dimethyl-16-phenyl-1,17-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene with MolForge

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Related Compounds

3,3,29-trimethyl-1,29-diazaoctacyclo[13.12.1.120,23.02,10.04,9.011,28.016,21.022,27]nonacosa-2(10),4,6,8,11,13,15(28),16(21),17,19,22,24,26-tridecaene
CID 163712182
5-[3-(3-phenylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[4-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 158643632
28,28-dimethyl-23-(2-pyridin-3-ylphenyl)-1-azaoctacyclo[14.13.1.02,7.08,30.09,14.017,29.018,27.020,25]triaconta-2,4,6,8(30),9,11,13,15,17(29),18(27),19,21,23,25-tetradecaene
CID 147742217
19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 12951299
3-[3-[3-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 176758725
3-[8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 148912010
[6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane
CID 163956322
18-(4,6-diphenylpyrimidin-2-yl)-9,9,21,21-tetramethyl-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635525
3-(9,9-dimethylfluoren-2-yl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene
CID 146370145
13,13,17,17-tetramethyl-8-N,8-N,21-N,21-N-tetraphenyl-15-azaoctacyclo[13.13.1.02,14.03,12.05,10.016,24.018,23.025,29]nonacosa-1(29),2(14),3(12),4,6,8,10,16(24),18(23),19,21,25,27-tridecaene-8,21-diamine
CID 165010245
2-chloro-4-methyl-5-phenylpyridine;hydride;5-(4-methyl-5-phenyl-2-pyridinyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 165099498
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole
CID 129312013

Frequently Asked Questions

What is the IUPAC name of 20,20-dimethyl-16-phenyl-1,17-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene?
The IUPAC name of 20,20-dimethyl-16-phenyl-1,17-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene (CID 167226042) is 20,20-dimethyl-16-phenyl-1,17-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene.
What is the SMILES notation for 20,20-dimethyl-16-phenyl-1,17-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene?
The canonical SMILES for 20,20-dimethyl-16-phenyl-1,17-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene is CC1(C)c2cnc(-c3ccccc3)cc2-c2c1n1c3ccccc3c3cccc2c31.
What is the InChIKey of 20,20-dimethyl-16-phenyl-1,17-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene?
The InChIKey is HAPXTZSQEPGJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2/c1-28(2)22-16-29-23(17-9-4-3-5-10-17)15-21(22)25-20-13-8-12-19-18-11-6-7-14-24(18)30(26(19)20)27(25)28/h3-16H,1-2H3.
What are the key properties of 20,20-dimethyl-16-phenyl-1,17-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene?
20,20-dimethyl-16-phenyl-1,17-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene has a molecular weight of 384.48 g/mol, XLogP of 7.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 20,20-dimethyl-16-phenyl-1,17-diazahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene is sourced from PubChem (CID 167226042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).