21,21,24,24-tetramethyl-28-phenyl-3-(6-phenylnaphthalen-2-yl)-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene

C52H42N2 — CID 177086883

IUPAC21,21,24,24-tetramethyl-28-phenyl-3-(6-phenylnaphthalen-2-yl)-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)c1c2ccccc2c2c4ccccc4n(-c4ccc5cc(-c6ccccc6)ccc5c4)c2c1n3-c1ccccc1
InChIInChI=1S/C52H42N2/c1-51(2)27-28-52(3,4)44-32-46-42(31-43(44)51)48-40-20-12-11-19-39(40)47-41-21-13-14-22-45(41)54(49(47)50(48)53(46)37-17-9-6-10-18-37)38-26-25-35-29-34(23-24-36(35)30-38)33-15-7-5-8-16-33/h5-26,29-32H,27-28H2,1-4H3
InChIKeyUNIHTFHUPDLNQF-UHFFFAOYSA-N
MW694.92 g/mol
LogP14.20
Rot. Bonds3

About 21,21,24,24-tetramethyl-28-phenyl-3-(6-phenylnaphthalen-2-yl)-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene

21,21,24,24-tetramethyl-28-phenyl-3-(6-phenylnaphthalen-2-yl)-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene (PubChem CID 177086883) has the molecular formula C52H42N2 and a molecular weight of 694.92 g/mol. Its IUPAC name is 21,21,24,24-tetramethyl-28-phenyl-3-(6-phenylnaphthalen-2-yl)-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene.

Molecular Properties

Compound Name21,21,24,24-tetramethyl-28-phenyl-3-(6-phenylnaphthalen-2-yl)-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene
PubChem CID177086883
Molecular FormulaC52H42N2
Molecular Weight694.92 g/mol
Exact Mass694.33
IUPAC Name21,21,24,24-tetramethyl-28-phenyl-3-(6-phenylnaphthalen-2-yl)-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)c1c2ccccc2c2c4ccccc4n(-c4ccc5cc(-c6ccccc6)ccc5c4)c2c1n3-c1ccccc1
InChIInChI=1S/C52H42N2/c1-51(2)27-28-52(3,4)44-32-46-42(31-43(44)51)48-40-20-12-11-19-39(40)47-41-21-13-14-22-45(41)54(49(47)50(48)53(46)37-17-9-6-10-18-37)38-26-25-35-29-34(23-24-36(35)30-38)33-15-7-5-8-16-33/h5-26,29-32H,27-28H2,1-4H3
InChIKeyUNIHTFHUPDLNQF-UHFFFAOYSA-N
XLogP14.20
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.92
LogP ≤ 514.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 21,21,24,24-tetramethyl-28-phenyl-3-(6-phenylnaphthalen-2-yl)-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene with MolForge

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Related Compounds

21,21,24,24-tetramethyl-3-naphthalen-2-yl-28-phenyl-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene
CID 177087063
21,21,24,24-tetramethyl-3-phenanthren-3-yl-28-phenyl-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene
CID 177086876
21,21,24,24-tetramethyl-3-phenyl-28-[3-(2-phenylphenyl)phenyl]-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene
CID 177087233
3-(4-dibenzofuran-2-ylphenyl)-21,21,24,24-tetramethyl-28-phenyl-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene
CID 177086713
28-(4-dibenzothiophen-3-ylphenyl)-21,21,24,24-tetramethyl-3-phenyl-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene
CID 177086594
24,24,27,27-tetramethyl-20-phenyl-16-[4-(3-phenylphenyl)phenyl]-16,20-diazaoctacyclo[15.15.0.02,15.03,8.09,14.019,31.021,30.023,28]dotriaconta-1(17),2(15),3,5,7,9,11,13,18,21,23(28),29,31-tridecaene
CID 177086695
7,7,10,10-tetramethyl-14-phenyl-18-(4-phenylphenyl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.020,25]octacosa-1,3(15),4,6(11),12,16,19(28),20,22,24,26-undecaene
CID 177086675
21,21,24,24-tetramethyl-28-phenyl-3-[4-(2-phenylphenyl)quinazolin-2-yl]-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene
CID 177086915
3-(4-carbazol-9-ylphenyl)-18,18,21,21-tetramethyl-14-phenyl-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17(22),23-nonaene
CID 177087240
28-(9,9-dimethylfluoren-1-yl)-21,21,24,24-tetramethyl-3-phenyl-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene
CID 177086834
21,21,24,24-tetramethyl-14-phenyl-28-(9-phenylcarbazol-3-yl)-14,28-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18,20(25),26-undecaene
CID 177086735
21,21,24,24-tetramethyl-28-naphthalen-2-yl-13-phenyl-13,28-diazaheptacyclo[15.11.0.02,14.03,12.04,9.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18,20(25),26-undecaene
CID 177087305

Frequently Asked Questions

What is the IUPAC name of 21,21,24,24-tetramethyl-28-phenyl-3-(6-phenylnaphthalen-2-yl)-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene?
The IUPAC name of 21,21,24,24-tetramethyl-28-phenyl-3-(6-phenylnaphthalen-2-yl)-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene (CID 177086883) is 21,21,24,24-tetramethyl-28-phenyl-3-(6-phenylnaphthalen-2-yl)-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene.
What is the SMILES notation for 21,21,24,24-tetramethyl-28-phenyl-3-(6-phenylnaphthalen-2-yl)-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene?
The canonical SMILES for 21,21,24,24-tetramethyl-28-phenyl-3-(6-phenylnaphthalen-2-yl)-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene is CC1(C)CCC(C)(C)c2cc3c(cc21)c1c2ccccc2c2c4ccccc4n(-c4ccc5cc(-c6ccccc6)ccc5c4)c2c1n3-c1ccccc1.
What is the InChIKey of 21,21,24,24-tetramethyl-28-phenyl-3-(6-phenylnaphthalen-2-yl)-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene?
The InChIKey is UNIHTFHUPDLNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H42N2/c1-51(2)27-28-52(3,4)44-32-46-42(31-43(44)51)48-40-20-12-11-19-39(40)47-41-21-13-14-22-45(41)54(49(47)50(48)53(46)37-17-9-6-10-18-37)38-26-25-35-29-34(23-24-36(35)30-38)33-15-7-5-8-16-33/h5-26,29-32H,27-28H2,1-4H3.
What are the key properties of 21,21,24,24-tetramethyl-28-phenyl-3-(6-phenylnaphthalen-2-yl)-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene?
21,21,24,24-tetramethyl-28-phenyl-3-(6-phenylnaphthalen-2-yl)-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene has a molecular weight of 694.92 g/mol, XLogP of 14.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 21,21,24,24-tetramethyl-28-phenyl-3-(6-phenylnaphthalen-2-yl)-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene is sourced from PubChem (CID 177086883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).