10,18-bis(3,6-ditert-butylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene

C66H61N3 — CID 146376598

IUPAC10,18-bis(3,6-ditert-butylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c2ccccc2cc2c1c1cccc3c4c(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)c5ccccc5cc4n2c13
InChIInChI=1S/C66H61N3/c1-63(2,3)40-24-28-52-48(34-40)49-35-41(64(4,5)6)25-29-53(49)67(52)61-44-20-15-13-18-38(44)32-56-58(61)46-22-17-23-47-59-57(69(56)60(46)47)33-39-19-14-16-21-45(39)62(59)68-54-30-26-42(65(7,8)9)36-50(54)51-37-43(66(10,11)12)27-31-55(51)68/h13-37H,1-12H3
InChIKeyWLPDLCCSNDXNIV-UHFFFAOYSA-N
MW896.24 g/mol
LogP18.53
Rot. Bonds2

About 10,18-bis(3,6-ditert-butylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene

10,18-bis(3,6-ditert-butylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene (PubChem CID 146376598) has the molecular formula C66H61N3 and a molecular weight of 896.24 g/mol. Its IUPAC name is 10,18-bis(3,6-ditert-butylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene.

Molecular Properties

Compound Name10,18-bis(3,6-ditert-butylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene
PubChem CID146376598
Molecular FormulaC66H61N3
Molecular Weight896.24 g/mol
Exact Mass895.49
IUPAC Name10,18-bis(3,6-ditert-butylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c2ccccc2cc2c1c1cccc3c4c(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)c5ccccc5cc4n2c13
InChIInChI=1S/C66H61N3/c1-63(2,3)40-24-28-52-48(34-40)49-35-41(64(4,5)6)25-29-53(49)67(52)61-44-20-15-13-18-38(44)32-56-58(61)46-22-17-23-47-59-57(69(56)60(46)47)33-39-19-14-16-21-45(39)62(59)68-54-30-26-42(65(7,8)9)36-50(54)51-37-43(66(10,11)12)27-31-55(51)68/h13-37H,1-12H3
InChIKeyWLPDLCCSNDXNIV-UHFFFAOYSA-N
XLogP18.53
TPSA14.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.24
LogP ≤ 518.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10,18-bis(3,6-ditert-butylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene 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

trimethyl-[9-[18-(3-trimethylsilylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaen-10-yl]carbazol-3-yl]silane
CID 153449313
9-anthracen-9-yl-6-tert-butyl-N,N-diphenylcarbazol-3-amine
CID 58827498
5,10-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 102489233
6,14-bis(3-tert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene;6,14-bis(3,6-ditert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene;6,14-bis(3-phenylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene;6,14-di(carbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene
CID 165008549
6,11,17,22,31,36-hexatert-butyl-2,26,40-triaza-14-boratridecacyclo[25.15.1.12,9.115,19.129,33.03,8.014,43.020,25.028,41.034,39.013,46.026,45.040,44]hexatetraconta-1(43),3(8),4,6,9(46),10,12,15,17,19(45),20(25),21,23,27,29,31,33(44),34(39),35,37,41-henicosaene
CID 171599908
4-(3,6-ditert-butylcarbazol-9-yl)-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25,27,29-pentadecaene
CID 177115147
6-[3-tert-butyl-6-[1-[6-tert-butyl-9-[14-(3-tert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaen-6-yl]carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-14-(3,6-ditert-butylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
CID 167218314
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
10-N-(4-tert-butylphenyl)-18-N-[4-[2-[4-(4-methyl-N-[18-(4-methyl-N-(4-methylphenyl)anilino)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12,14,16(27),17,19,21,23,25-tridecaen-10-yl]anilino)phenyl]propan-2-yl]phenyl]-10-N,18-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene-10,18-diamine
CID 167091828
3,22-diazadodecacyclo[18.18.2.13,10.122,29.02,15.04,9.017,39.021,34.023,28.036,40.014,42.033,41]dotetraconta-1(39),2(15),4,6,8,10(42),11,13,16,18,20(40),21(34),23,25,27,29(41),30,32,35,37-icosaene;14,33-diazadodecacyclo[18.18.2.13,7.122,26.02,15.08,13.017,39.021,34.027,32.036,40.014,42.033,41]dotetraconta-1(39),2(15),3,5,7(42),8,10,12,16,18,20(40),21(34),22,24,26(41),27,29,31,35,37-icosaene;1,8-diazadodecacyclo[30.10.1.18,15.02,31.04,29.05,22.07,20.09,14.023,28.036,43.037,42.019,44]tetratetraconta-2(31),3,5,7(20),9,11,13,15(44),16,18,21,23,25,27,29,32,34,36(43),37,39,41-henicosaene;23,32-diazadodecacyclo[30.10.1.112,16.02,31.03,28.04,9.010,27.011,24.017,22.033,38.039,43.023,44]tetratetraconta-1(42),2(31),3(28),4,6,8,10(27),11(24),12,14,16(44),17,19,21,25,29,33,35,37,39(43),40-henicosaene;1,8-diazaundecacyclo[26.10.1.18,15.02,27.04,25.05,22.07,20.09,14.032,39.033,38.019,40]tetraconta-2(27),3,5,7(20),9,11,13,15(40),16,18,21,23,25,28,30,32(39),33,35,37-nonadecaene;19,28-diazaundecacyclo[26.10.1.18,12.02,27.03,24.06,23.07,20.013,18.029,34.035,39.019,40]tetraconta-1(38),2(27),3(24),4,6(23),7(20),8,10,12(40),13,15,17,21,25,29,31,33,35(39),36-nonadecaene;19,28-diazaundecacyclo[26.10.1.18,12.02,27.04,25.05,22.07,20.013,18.029,34.035,39.019,40]tetraconta-1(38),2(27),3,5,7(20),8,10,12(40),13,15,17,21,23,25,29,31,33,35(39),36-nonadecaene;9,14,24,29-tetratert-butyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene
CID 160609759
6,11-ditert-butyl-22-(9-phenylcarbazol-3-yl)-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.023,28.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21,23,25,27,29,31(39),32,34,36-nonadecaene
CID 169055842
3,6-ditert-butyl-9-[10-[6-[10-(3,6-ditert-butylcarbazol-9-yl)anthracen-9-yl]dibenzoselenophen-1-yl]anthracen-9-yl]carbazole
CID 159766779

Frequently Asked Questions

What is the IUPAC name of 10,18-bis(3,6-ditert-butylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene?
The IUPAC name of 10,18-bis(3,6-ditert-butylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene (CID 146376598) is 10,18-bis(3,6-ditert-butylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene.
What is the SMILES notation for 10,18-bis(3,6-ditert-butylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene?
The canonical SMILES for 10,18-bis(3,6-ditert-butylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c2ccccc2cc2c1c1cccc3c4c(-n5c6ccc(C(C)(C)C)cc6c6cc(C(C)(C)C)ccc65)c5ccccc5cc4n2c13.
What is the InChIKey of 10,18-bis(3,6-ditert-butylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene?
The InChIKey is WLPDLCCSNDXNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H61N3/c1-63(2,3)40-24-28-52-48(34-40)49-35-41(64(4,5)6)25-29-53(49)67(52)61-44-20-15-13-18-38(44)32-56-58(61)46-22-17-23-47-59-57(69(56)60(46)47)33-39-19-14-16-21-45(39)62(59)68-54-30-26-42(65(7,8)9)36-50(54)51-37-43(66(10,11)12)27-31-55(51)68/h13-37H,1-12H3.
What are the key properties of 10,18-bis(3,6-ditert-butylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene?
10,18-bis(3,6-ditert-butylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene has a molecular weight of 896.24 g/mol, XLogP of 18.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,18-bis(3,6-ditert-butylcarbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2,4,6,8,10,12(27),13,15,17,19,21,23,25-tridecaene is sourced from PubChem (CID 146376598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).