7-(3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)-3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;ethane;methanamine

C59H51N3 — CID 145261475

IUPAC7-(3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)-3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;ethane;methanamine
SMILESCC.CC1(C)c2ccccc2-c2ccc3cc4c(cc3c21)[nH]c1ccc(-c2ccc3c(c2)-c2ccc5cc6c7ccccc7n(-c7ccccc7)c6cc5c2C3(C)C)cc14.CN
InChIInChI=1S/C56H40N2.C2H6.CH5N/c1-55(2)47-16-10-8-14-37(47)39-22-18-34-28-45-44-27-33(21-25-49(44)57-50(45)30-41(34)53(39)55)32-20-24-48-43(26-32)40-23-19-35-29-46-38-15-9-11-17-51(38)58(36-12-6-5-7-13-36)52(46)31-42(35)54(40)56(48,3)4;2*1-2/h5-31,57H,1-4H3;1-2H3;2H2,1H3
InChIKeyTVPIYMLLQLMLAP-UHFFFAOYSA-N
MW802.08 g/mol
LogP15.61
Rot. Bonds2

About 7-(3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)-3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;ethane;methanamine

7-(3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)-3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;ethane;methanamine (PubChem CID 145261475) has the molecular formula C59H51N3 and a molecular weight of 802.08 g/mol. Its IUPAC name is 7-(3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)-3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;ethane;methanamine.

Molecular Properties

Compound Name7-(3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)-3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;ethane;methanamine
PubChem CID145261475
Molecular FormulaC59H51N3
Molecular Weight802.08 g/mol
Exact Mass801.41
IUPAC Name7-(3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)-3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;ethane;methanamine
SMILESCC.CC1(C)c2ccccc2-c2ccc3cc4c(cc3c21)[nH]c1ccc(-c2ccc3c(c2)-c2ccc5cc6c7ccccc7n(-c7ccccc7)c6cc5c2C3(C)C)cc14.CN
InChIInChI=1S/C56H40N2.C2H6.CH5N/c1-55(2)47-16-10-8-14-37(47)39-22-18-34-28-45-44-27-33(21-25-49(44)57-50(45)30-41(34)53(39)55)32-20-24-48-43(26-32)40-23-19-35-29-46-38-15-9-11-17-51(38)58(36-12-6-5-7-13-36)52(46)31-42(35)54(40)56(48,3)4;2*1-2/h5-31,57H,1-4H3;1-2H3;2H2,1H3
InChIKeyTVPIYMLLQLMLAP-UHFFFAOYSA-N
XLogP15.61
TPSA46.74 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.08
LogP ≤ 515.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-(3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)-3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;ethane;methanamine with MolForge

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Related Compounds

3-(3,3-dimethyl-16-phenyl-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-yl)-N,N-bis(4-phenylphenyl)aniline
CID 140905740
22-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;3,3-dimethyl-22-(9-phenylcarbazol-3-yl)-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-18-(22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
CID 158220015
3,3-dimethyl-16-(9-phenylcarbazol-1-yl)-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene
CID 126718273
3-[11,11-dimethyl-2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]fluoren-8-yl]-9-phenylcarbazole
CID 155465840
12-(9,9-dimethylfluoren-3-yl)-22-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118502094
8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 130289398
15-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492385
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
12,12-dimethyl-8-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindeno[2,1-a]carbazole
CID 121343398
3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole
CID 59307187
N-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-16-phenyl-N-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-amine
CID 140905623
3-(12,12-dimethylfluoreno[2,1-b][1]benzothiol-9-yl)-9-phenylcarbazole
CID 118099081

Frequently Asked Questions

What is the IUPAC name of 7-(3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)-3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;ethane;methanamine?
The IUPAC name of 7-(3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)-3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;ethane;methanamine (CID 145261475) is 7-(3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)-3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;ethane;methanamine.
What is the SMILES notation for 7-(3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)-3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;ethane;methanamine?
The canonical SMILES for 7-(3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)-3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;ethane;methanamine is CC.CC1(C)c2ccccc2-c2ccc3cc4c(cc3c21)[nH]c1ccc(-c2ccc3c(c2)-c2ccc5cc6c7ccccc7n(-c7ccccc7)c6cc5c2C3(C)C)cc14.CN.
What is the InChIKey of 7-(3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)-3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;ethane;methanamine?
The InChIKey is TVPIYMLLQLMLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N2.C2H6.CH5N/c1-55(2)47-16-10-8-14-37(47)39-22-18-34-28-45-44-27-33(21-25-49(44)57-50(45)30-41(34)53(39)55)32-20-24-48-43(26-32)40-23-19-35-29-46-38-15-9-11-17-51(38)58(36-12-6-5-7-13-36)52(46)31-42(35)54(40)56(48,3)4;2*1-2/h5-31,57H,1-4H3;1-2H3;2H2,1H3.
What are the key properties of 7-(3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)-3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;ethane;methanamine?
7-(3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)-3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;ethane;methanamine has a molecular weight of 802.08 g/mol, XLogP of 15.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,3-dimethyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)-3,3-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16,18,20-undecaene;ethane;methanamine is sourced from PubChem (CID 145261475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).