2,16,16-trimethyl-20-phenyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6,8,10,12,14,17(22),18,20-undecaene

C31H23NO — CID 164814700

IUPAC2,16,16-trimethyl-20-phenyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6,8,10,12,14,17(22),18,20-undecaene
SMILESCc1cnc2c3c1oc1c(-c4ccccc4)ccc(c13)C(C)(C)c1cc3ccccc3cc1-2
InChIInChI=1S/C31H23NO/c1-18-17-32-28-23-15-20-11-7-8-12-21(20)16-25(23)31(2,3)24-14-13-22(19-9-5-4-6-10-19)30-26(24)27(28)29(18)33-30/h4-17H,1-3H3
InChIKeyNBURJUKDXWXIKT-UHFFFAOYSA-N
MW425.53 g/mol
LogP8.42
Rot. Bonds1

About 2,16,16-trimethyl-20-phenyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6,8,10,12,14,17(22),18,20-undecaene

2,16,16-trimethyl-20-phenyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6,8,10,12,14,17(22),18,20-undecaene (PubChem CID 164814700) has the molecular formula C31H23NO and a molecular weight of 425.53 g/mol. Its IUPAC name is 2,16,16-trimethyl-20-phenyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6,8,10,12,14,17(22),18,20-undecaene.

Molecular Properties

Compound Name2,16,16-trimethyl-20-phenyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6,8,10,12,14,17(22),18,20-undecaene
PubChem CID164814700
Molecular FormulaC31H23NO
Molecular Weight425.53 g/mol
Exact Mass425.18
IUPAC Name2,16,16-trimethyl-20-phenyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6,8,10,12,14,17(22),18,20-undecaene
SMILESCc1cnc2c3c1oc1c(-c4ccccc4)ccc(c13)C(C)(C)c1cc3ccccc3cc1-2
InChIInChI=1S/C31H23NO/c1-18-17-32-28-23-15-20-11-7-8-12-21(20)16-25(23)31(2,3)24-14-13-22(19-9-5-4-6-10-19)30-26(24)27(28)29(18)33-30/h4-17H,1-3H3
InChIKeyNBURJUKDXWXIKT-UHFFFAOYSA-N
XLogP8.42
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,16,16-trimethyl-20-phenyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6,8,10,12,14,17(22),18,20-undecaene with MolForge

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Related Compounds

20-(2,2-dimethylpropyl)-2,11,16,16-tetramethyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6(15),7,9,11,13,17(22),18,20-undecaene
CID 164814572
2,11,16,16-tetramethyl-20-(2-methylpropyl)-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1(23),2,4,6(15),7,9(14),10,12,17(22),18,20-undecaene
CID 164815337
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168778998
11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(6-phenyldibenzofuran-4-yl)benzo[b]fluorene-2,8-diamine
CID 90139814
2,20-ditert-butyl-16,16-dimethyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.09,14.017,22]tetracosa-1(23),2,4,6(15),7,9,11,13,17(22),18,20-undecaene
CID 164815109
10-(11,11-dimethylbenzo[b]fluoren-2-yl)-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran
CID 170939914
N-(12,12-dimethyl-17-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaenyl)-N,6-diphenyldibenzofuran-4-amine
CID 90140458
12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane
CID 91266782
12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;naphthalene
CID 158911648
12,12-dimethyl-2,16-bis(2-methylpropyl)-20-oxa-4-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1(19),2,4,6,8,10,13(18),14,16-nonaene
CID 164815426
11,11-dimethyl-2-(4-methylnaphthalen-1-yl)benzo[b]fluorene
CID 123864215
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 163493770

Frequently Asked Questions

What is the IUPAC name of 2,16,16-trimethyl-20-phenyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6,8,10,12,14,17(22),18,20-undecaene?
The IUPAC name of 2,16,16-trimethyl-20-phenyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6,8,10,12,14,17(22),18,20-undecaene (CID 164814700) is 2,16,16-trimethyl-20-phenyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6,8,10,12,14,17(22),18,20-undecaene.
What is the SMILES notation for 2,16,16-trimethyl-20-phenyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6,8,10,12,14,17(22),18,20-undecaene?
The canonical SMILES for 2,16,16-trimethyl-20-phenyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6,8,10,12,14,17(22),18,20-undecaene is Cc1cnc2c3c1oc1c(-c4ccccc4)ccc(c13)C(C)(C)c1cc3ccccc3cc1-2.
What is the InChIKey of 2,16,16-trimethyl-20-phenyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6,8,10,12,14,17(22),18,20-undecaene?
The InChIKey is NBURJUKDXWXIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23NO/c1-18-17-32-28-23-15-20-11-7-8-12-21(20)16-25(23)31(2,3)24-14-13-22(19-9-5-4-6-10-19)30-26(24)27(28)29(18)33-30/h4-17H,1-3H3.
What are the key properties of 2,16,16-trimethyl-20-phenyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6,8,10,12,14,17(22),18,20-undecaene?
2,16,16-trimethyl-20-phenyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6,8,10,12,14,17(22),18,20-undecaene has a molecular weight of 425.53 g/mol, XLogP of 8.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,16,16-trimethyl-20-phenyl-24-oxa-4-azahexacyclo[19.2.1.05,23.06,15.08,13.017,22]tetracosa-1(23),2,4,6,8,10,12,14,17(22),18,20-undecaene is sourced from PubChem (CID 164814700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).