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

C48H40N2 — CID 177086675

IUPAC7,7,10,10-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
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)c1cc2c4ccc5ccccc5c4n(-c4ccc(-c5ccccc5)cc4)c2cc1n3-c1ccccc1
InChIInChI=1S/C48H40N2/c1-47(2)25-26-48(3,4)42-29-43-40(28-41(42)47)39-27-38-37-24-21-33-15-11-12-18-36(33)46(37)50(35-22-19-32(20-23-35)31-13-7-5-8-14-31)45(38)30-44(39)49(43)34-16-9-6-10-17-34/h5-24,27-30H,25-26H2,1-4H3
InChIKeyMNPMOAHHWFFTGB-UHFFFAOYSA-N
MW644.86 g/mol
LogP13.05
Rot. Bonds3

About 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

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 (PubChem CID 177086675) has the molecular formula C48H40N2 and a molecular weight of 644.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7,7,10,10-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
PubChem CID177086675
Molecular FormulaC48H40N2
Molecular Weight644.86 g/mol
Exact Mass644.32
IUPAC Name7,7,10,10-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
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)c1cc2c4ccc5ccccc5c4n(-c4ccc(-c5ccccc5)cc4)c2cc1n3-c1ccccc1
InChIInChI=1S/C48H40N2/c1-47(2)25-26-48(3,4)42-29-43-40(28-41(42)47)39-27-38-37-24-21-33-15-11-12-18-36(33)46(37)50(35-22-19-32(20-23-35)31-13-7-5-8-14-31)45(38)30-44(39)49(43)34-16-9-6-10-17-34/h5-24,27-30H,25-26H2,1-4H3
InChIKeyMNPMOAHHWFFTGB-UHFFFAOYSA-N
XLogP13.05
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.86
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
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
22,22,25,25-tetramethyl-14-phenyl-18-(9-phenylcarbazol-2-yl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19,21(26),27-undecaene
CID 177086589
21,21,24,24-tetramethyl-28-phenyl-13-(4-phenylquinazolin-2-yl)-13,28-diazaheptacyclo[15.11.0.02,14.03,12.06,11.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18,20(25),26-undecaene
CID 177086709
22,22,25,25-tetramethyl-14-phenyl-18-(9-phenylcarbazol-3-yl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19,21(26),27-undecaene
CID 177086872
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
N,4-diphenyl-N-[4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)phenyl]aniline
CID 154589094
21,21,24,24-tetramethyl-28-(4-naphthalen-1-ylphenyl)-14-phenyl-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 177087278
21,21,24,24-tetramethyl-14-(4-naphthalen-1-ylphenyl)-28-phenyl-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 177086815
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
22,22,25,25-tetramethyl-18-phenyl-13-triphenylen-2-yl-13,18-diazaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21(26),27-undecaene
CID 177086547
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)CCC(C)(C)c2cc3c(cc21)c1cc2c4ccc5ccccc5c4n(-c4ccc(-c5ccccc5)cc4)c2cc1n3-c1ccccc1.
What is the InChIKey of 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?
The InChIKey is MNPMOAHHWFFTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40N2/c1-47(2)25-26-48(3,4)42-29-43-40(28-41(42)47)39-27-38-37-24-21-33-15-11-12-18-36(33)46(37)50(35-22-19-32(20-23-35)31-13-7-5-8-14-31)45(38)30-44(39)49(43)34-16-9-6-10-17-34/h5-24,27-30H,25-26H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 644.86 g/mol, XLogP of 13.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177086675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).