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

C54H42N2O — CID 177086713

IUPAC3-(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
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)c1c2ccccc2c2c4ccccc4n(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c2c1n3-c1ccccc1
InChIInChI=1S/C54H42N2O/c1-53(2)28-29-54(3,4)44-32-46-42(31-43(44)53)50-39-18-9-8-17-38(39)49-40-19-10-12-20-45(40)55(51(49)52(50)56(46)35-14-6-5-7-15-35)36-25-22-33(23-26-36)34-24-27-48-41(30-34)37-16-11-13-21-47(37)57-48/h5-27,30-32H,28-29H2,1-4H3
InChIKeyUUYZCEBIUJYVQZ-UHFFFAOYSA-N
MW734.94 g/mol
LogP14.95
Rot. Bonds3

About 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

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 (PubChem CID 177086713) has the molecular formula C54H42N2O and a molecular weight of 734.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID177086713
Molecular FormulaC54H42N2O
Molecular Weight734.94 g/mol
Exact Mass734.33
IUPAC Name3-(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
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)c1c2ccccc2c2c4ccccc4n(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c2c1n3-c1ccccc1
InChIInChI=1S/C54H42N2O/c1-53(2)28-29-54(3,4)44-32-46-42(31-43(44)53)50-39-18-9-8-17-38(39)49-40-19-10-12-20-45(40)55(51(49)52(50)56(46)35-14-6-5-7-15-35)36-25-22-33(23-26-36)34-24-27-48-41(30-34)37-16-11-13-21-47(37)57-48/h5-27,30-32H,28-29H2,1-4H3
InChIKeyUUYZCEBIUJYVQZ-UHFFFAOYSA-N
XLogP14.95
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.94
LogP ≤ 514.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
28-(4-dibenzofuran-2-ylphenyl)-21,21,24,24-tetramethyl-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 177086572
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-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-17,17,20,20-tetramethyl-3-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16(21),22-nonaene
CID 177087020
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
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-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
11-(21-dibenzofuran-2-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene;18,21-di(dibenzofuran-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 158774337
9-phenyl-N-(3-phenylphenyl)-N-[4-[4-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzofuran-2-yl)phenyl]phenyl]carbazol-3-amine
CID 169029905
4-naphthalen-1-yl-2-(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-undecaen-3-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 177086760
9-dibenzofuran-2-yl-12-phenyl-9,12-diazaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene
CID 134369923

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)CCC(C)(C)c2cc3c(cc21)c1c2ccccc2c2c4ccccc4n(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c2c1n3-c1ccccc1.
What is the InChIKey of 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?
The InChIKey is UUYZCEBIUJYVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N2O/c1-53(2)28-29-54(3,4)44-32-46-42(31-43(44)53)50-39-18-9-8-17-38(39)49-40-19-10-12-20-45(40)55(51(49)52(50)56(46)35-14-6-5-7-15-35)36-25-22-33(23-26-36)34-24-27-48-41(30-34)37-16-11-13-21-47(37)57-48/h5-27,30-32H,28-29H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 734.94 g/mol, XLogP of 14.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177086713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).