32,38-ditert-butyl-6-(7,7-dimethylbenzo[c]fluoren-5-yl)-19,22,25-triazatridecacyclo[25.7.6.14,22.111,15.113,17.01,28.02,26.03,23.09,21.010,18.029,34.035,40.08,41]tritetraconta-2,4,6,8(41),9,18,20,23,25,29(34),30,32,35(40),36,38-pentadecaene

C67H59N3 — CID 167116598

IUPAC32,38-ditert-butyl-6-(7,7-dimethylbenzo[c]fluoren-5-yl)-19,22,25-triazatridecacyclo[25.7.6.14,22.111,15.113,17.01,28.02,26.03,23.09,21.010,18.029,34.035,40.08,41]tritetraconta-2,4,6,8(41),9,18,20,23,25,29(34),30,32,35(40),36,38-pentadecaene
SMILESCC(C)(C)c1ccc2c(c1)C1c3ncc4c(c3C23c2cc(C(C)(C)C)ccc2C13)c1cc(-c2cc3c(c5ccccc25)-c2ccccc2C3(C)C)cc2c3c5c(ncc3n4c21)C1CC2CC(C1)CC5C2
InChIInChI=1S/C67H59N3/c1-64(2,3)38-18-20-49-45(28-38)58-59-43-19-17-39(65(4,5)6)29-50(43)67(49,59)60-57-47-27-35(44-30-51-55(41-14-10-9-13-40(41)44)42-15-11-12-16-48(42)66(51,7)8)26-46-56-52(70(63(46)47)53(57)32-69-62(58)60)31-68-61-37-24-33-21-34(25-37)23-36(22-33)54(56)61/h9-20,26-34,36-37,58-59H,21-25H2,1-8H3
InChIKeyYQVZZJZMBWSFPO-UHFFFAOYSA-N
MW906.23 g/mol
LogP16.63
Rot. Bonds1

About 32,38-ditert-butyl-6-(7,7-dimethylbenzo[c]fluoren-5-yl)-19,22,25-triazatridecacyclo[25.7.6.14,22.111,15.113,17.01,28.02,26.03,23.09,21.010,18.029,34.035,40.08,41]tritetraconta-2,4,6,8(41),9,18,20,23,25,29(34),30,32,35(40),36,38-pentadecaene

32,38-ditert-butyl-6-(7,7-dimethylbenzo[c]fluoren-5-yl)-19,22,25-triazatridecacyclo[25.7.6.14,22.111,15.113,17.01,28.02,26.03,23.09,21.010,18.029,34.035,40.08,41]tritetraconta-2,4,6,8(41),9,18,20,23,25,29(34),30,32,35(40),36,38-pentadecaene (PubChem CID 167116598) has the molecular formula C67H59N3 and a molecular weight of 906.23 g/mol. Its IUPAC name is 32,38-ditert-butyl-6-(7,7-dimethylbenzo[c]fluoren-5-yl)-19,22,25-triazatridecacyclo[25.7.6.14,22.111,15.113,17.01,28.02,26.03,23.09,21.010,18.029,34.035,40.08,41]tritetraconta-2,4,6,8(41),9,18,20,23,25,29(34),30,32,35(40),36,38-pentadecaene.

Molecular Properties

Compound Name32,38-ditert-butyl-6-(7,7-dimethylbenzo[c]fluoren-5-yl)-19,22,25-triazatridecacyclo[25.7.6.14,22.111,15.113,17.01,28.02,26.03,23.09,21.010,18.029,34.035,40.08,41]tritetraconta-2,4,6,8(41),9,18,20,23,25,29(34),30,32,35(40),36,38-pentadecaene
PubChem CID167116598
Molecular FormulaC67H59N3
Molecular Weight906.23 g/mol
Exact Mass905.47
IUPAC Name32,38-ditert-butyl-6-(7,7-dimethylbenzo[c]fluoren-5-yl)-19,22,25-triazatridecacyclo[25.7.6.14,22.111,15.113,17.01,28.02,26.03,23.09,21.010,18.029,34.035,40.08,41]tritetraconta-2,4,6,8(41),9,18,20,23,25,29(34),30,32,35(40),36,38-pentadecaene
SMILESCC(C)(C)c1ccc2c(c1)C1c3ncc4c(c3C23c2cc(C(C)(C)C)ccc2C13)c1cc(-c2cc3c(c5ccccc25)-c2ccccc2C3(C)C)cc2c3c5c(ncc3n4c21)C1CC2CC(C1)CC5C2
InChIInChI=1S/C67H59N3/c1-64(2,3)38-18-20-49-45(28-38)58-59-43-19-17-39(65(4,5)6)29-50(43)67(49,59)60-57-47-27-35(44-30-51-55(41-14-10-9-13-40(41)44)42-15-11-12-16-48(42)66(51,7)8)26-46-56-52(70(63(46)47)53(57)32-69-62(58)60)31-68-61-37-24-33-21-34(25-37)23-36(22-33)54(56)61/h9-20,26-34,36-37,58-59H,21-25H2,1-8H3
InChIKeyYQVZZJZMBWSFPO-UHFFFAOYSA-N
XLogP16.63
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.23
LogP ≤ 516.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 32,38-ditert-butyl-6-(7,7-dimethylbenzo[c]fluoren-5-yl)-19,22,25-triazatridecacyclo[25.7.6.14,22.111,15.113,17.01,28.02,26.03,23.09,21.010,18.029,34.035,40.08,41]tritetraconta-2,4,6,8(41),9,18,20,23,25,29(34),30,32,35(40),36,38-pentadecaene 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

17-(9,9-dimethylfluoren-4-yl)-1,4,31-triazadodecacyclo[17.14.1.16,10.18,12.122,25.124,29.02,14.05,13.015,34.020,33.021,30.024,27]octatriaconta-2,4,13,15(34),16,18,20,30,32-nonaene
CID 167116406
18-(9,9-dimethylfluoren-4-yl)-1,4,32-triazatridecacyclo[18.14.1.16,9.18,13.123,26.125,30.02,15.05,14.08,11.016,35.021,34.022,31.025,28]nonatriaconta-2,4,14,16,18,20(35),21,31,33-nonaene
CID 171402789
17-(1,4,30-triazaundecacyclo[17.13.1.16,10.18,12.122,26.124,28.02,14.05,13.015,33.020,32.021,29]heptatriaconta-2,4,13,15,17,19(33),20,29,31-nonaen-17-yl)-1,4,30-triazaundecacyclo[17.13.1.16,10.18,12.122,26.124,28.02,14.05,13.015,33.020,32.021,29]heptatriaconta-2,4,13,15,17,19(33),20,29,31-nonaene
CID 171402978
31,31-dimethyl-12,15,18-triazatetradecacyclo[27.13.1.14,8.16,10.120,24.122,26.132,36.02,14.03,11.015,43.016,28.019,27.030,41.040,44]octatetraconta-1(42),2,11,13,16,18,27,29(43),30(41),32,34,36(44),37,39-tetradecaene
CID 171402792
17-(4-phenylphenyl)-1,4,30-triazaundecacyclo[17.13.1.16,10.18,12.122,26.124,28.02,14.05,13.015,33.020,32.021,29]heptatriaconta-2,4,13,15,17,19(33),20,29,31-nonaene
CID 171402831
spiro[23,26,29-triazatridecacyclo[24.13.1.115,19.117,21.131,35.133,37.02,10.04,9.012,40.013,25.014,22.027,39.030,38]tetratetraconta-1(40),2(10),4,6,8,11,13,22,24,27,29,38-dodecaene-3,9'-fluorene]
CID 171402784
6,28-ditert-butyl-12,15,34-triazahexadecacyclo[37.6.6.14,34.112,26.117,21.119,23.02,38.03,35.09,33.011,31.013,25.016,24.040,45.046,51.08,52.030,53]pentapentaconta-2(38),3(35),4,6,8(52),9(33),10,13,15,24,26,28,30(53),31,36,40,42,44,46,48,50-henicosaene-37-carbonitrile
CID 176770839
17,17,32,32,39,39-hexamethyl-1,4,41-triazatridecacyclo[27.14.1.16,10.18,12.118,22.02,14.05,13.015,44.016,27.030,43.031,40.033,38.026,45]heptatetraconta-2,4,13,15(44),16(27),18,20,22(45),23,25,28,30,33,35,37,40,42-heptadecaene
CID 164528184
17,17-dimethyl-1,4,39-triazatetradecacyclo[25.14.1.16,10.18,12.130,33.132,37.02,14.05,13.015,42.016,25.018,23.028,41.029,38.032,35]hexatetraconta-2,4,13,15(42),16(25),18,20,22,26,28,38,40-dodecaen-24-one
CID 167116413
17-(2,6-dimethylphenyl)-1,4,31-triazadodecacyclo[17.14.1.16,10.18,12.122,25.124,29.02,14.05,13.015,34.020,33.021,30.024,27]octatriaconta-2,4,13,15(34),16,18,20,30,32-nonaene
CID 167116470
23,26,29-triazatridecacyclo[24.13.1.115,19.117,21.131,35.133,37.02,10.03,8.012,40.013,25.014,22.027,39.030,38]tetratetraconta-1(40),2(10),3,5,7,11,13,22,24,27,29,38-dodecaen-9-one
CID 171402684
28,28-dimethylspiro[12,15,18-triazadodecacyclo[23.13.1.14,8.16,10.129,33.02,14.03,11.015,39.016,24.019,23.027,38.037,40]dotetraconta-1(39),2,11,13,16,18,23,25,27(38),29,31,33(40),34,36-tetradecaene-21,1'-cyclopentane]
CID 167116720

Frequently Asked Questions

What is the IUPAC name of 32,38-ditert-butyl-6-(7,7-dimethylbenzo[c]fluoren-5-yl)-19,22,25-triazatridecacyclo[25.7.6.14,22.111,15.113,17.01,28.02,26.03,23.09,21.010,18.029,34.035,40.08,41]tritetraconta-2,4,6,8(41),9,18,20,23,25,29(34),30,32,35(40),36,38-pentadecaene?
The IUPAC name of 32,38-ditert-butyl-6-(7,7-dimethylbenzo[c]fluoren-5-yl)-19,22,25-triazatridecacyclo[25.7.6.14,22.111,15.113,17.01,28.02,26.03,23.09,21.010,18.029,34.035,40.08,41]tritetraconta-2,4,6,8(41),9,18,20,23,25,29(34),30,32,35(40),36,38-pentadecaene (CID 167116598) is 32,38-ditert-butyl-6-(7,7-dimethylbenzo[c]fluoren-5-yl)-19,22,25-triazatridecacyclo[25.7.6.14,22.111,15.113,17.01,28.02,26.03,23.09,21.010,18.029,34.035,40.08,41]tritetraconta-2,4,6,8(41),9,18,20,23,25,29(34),30,32,35(40),36,38-pentadecaene.
What is the SMILES notation for 32,38-ditert-butyl-6-(7,7-dimethylbenzo[c]fluoren-5-yl)-19,22,25-triazatridecacyclo[25.7.6.14,22.111,15.113,17.01,28.02,26.03,23.09,21.010,18.029,34.035,40.08,41]tritetraconta-2,4,6,8(41),9,18,20,23,25,29(34),30,32,35(40),36,38-pentadecaene?
The canonical SMILES for 32,38-ditert-butyl-6-(7,7-dimethylbenzo[c]fluoren-5-yl)-19,22,25-triazatridecacyclo[25.7.6.14,22.111,15.113,17.01,28.02,26.03,23.09,21.010,18.029,34.035,40.08,41]tritetraconta-2,4,6,8(41),9,18,20,23,25,29(34),30,32,35(40),36,38-pentadecaene is CC(C)(C)c1ccc2c(c1)C1c3ncc4c(c3C23c2cc(C(C)(C)C)ccc2C13)c1cc(-c2cc3c(c5ccccc25)-c2ccccc2C3(C)C)cc2c3c5c(ncc3n4c21)C1CC2CC(C1)CC5C2.
What is the InChIKey of 32,38-ditert-butyl-6-(7,7-dimethylbenzo[c]fluoren-5-yl)-19,22,25-triazatridecacyclo[25.7.6.14,22.111,15.113,17.01,28.02,26.03,23.09,21.010,18.029,34.035,40.08,41]tritetraconta-2,4,6,8(41),9,18,20,23,25,29(34),30,32,35(40),36,38-pentadecaene?
The InChIKey is YQVZZJZMBWSFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H59N3/c1-64(2,3)38-18-20-49-45(28-38)58-59-43-19-17-39(65(4,5)6)29-50(43)67(49,59)60-57-47-27-35(44-30-51-55(41-14-10-9-13-40(41)44)42-15-11-12-16-48(42)66(51,7)8)26-46-56-52(70(63(46)47)53(57)32-69-62(58)60)31-68-61-37-24-33-21-34(25-37)23-36(22-33)54(56)61/h9-20,26-34,36-37,58-59H,21-25H2,1-8H3.
What are the key properties of 32,38-ditert-butyl-6-(7,7-dimethylbenzo[c]fluoren-5-yl)-19,22,25-triazatridecacyclo[25.7.6.14,22.111,15.113,17.01,28.02,26.03,23.09,21.010,18.029,34.035,40.08,41]tritetraconta-2,4,6,8(41),9,18,20,23,25,29(34),30,32,35(40),36,38-pentadecaene?
32,38-ditert-butyl-6-(7,7-dimethylbenzo[c]fluoren-5-yl)-19,22,25-triazatridecacyclo[25.7.6.14,22.111,15.113,17.01,28.02,26.03,23.09,21.010,18.029,34.035,40.08,41]tritetraconta-2,4,6,8(41),9,18,20,23,25,29(34),30,32,35(40),36,38-pentadecaene has a molecular weight of 906.23 g/mol, XLogP of 16.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 32,38-ditert-butyl-6-(7,7-dimethylbenzo[c]fluoren-5-yl)-19,22,25-triazatridecacyclo[25.7.6.14,22.111,15.113,17.01,28.02,26.03,23.09,21.010,18.029,34.035,40.08,41]tritetraconta-2,4,6,8(41),9,18,20,23,25,29(34),30,32,35(40),36,38-pentadecaene is sourced from PubChem (CID 167116598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).