33,33-di(carbazol-9-yl)-16,16-dimethyl-9-phenyl-9-azaoctacyclo[28.2.1.05,32.06,19.08,17.010,15.020,25.026,31]tritriaconta-1,3,5(32),6,8(17),10,12,14,18,20,22,24,26(31),27,29-pentadecaene

C64H43N3 — CID 134428389

IUPAC33,33-di(carbazol-9-yl)-16,16-dimethyl-9-phenyl-9-azaoctacyclo[28.2.1.05,32.06,19.08,17.010,15.020,25.026,31]tritriaconta-1,3,5(32),6,8(17),10,12,14,18,20,22,24,26(31),27,29-pentadecaene
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)-c1ccccc1-c1cccc2c1-c1c-3cccc1C2(n1c2ccccc2c2ccccc21)n1c2ccccc2c2ccccc21
InChIInChI=1S/C64H43N3/c1-63(2)51-30-12-17-37-59(51)65(40-20-4-3-5-21-40)60-39-50-48-29-19-32-53-62(48)61-47(41-22-6-7-23-42(41)49(50)38-54(60)63)28-18-31-52(61)64(53,66-55-33-13-8-24-43(55)44-25-9-14-34-56(44)66)67-57-35-15-10-26-45(57)46-27-11-16-36-58(46)67/h3-39H,1-2H3/b47-41-,49-42-,50-48-
InChIKeyRKERKAMWTKYLAB-ZBWNAKHOSA-N
MW854.07 g/mol
LogP16.60
Rot. Bonds3

About 33,33-di(carbazol-9-yl)-16,16-dimethyl-9-phenyl-9-azaoctacyclo[28.2.1.05,32.06,19.08,17.010,15.020,25.026,31]tritriaconta-1,3,5(32),6,8(17),10,12,14,18,20,22,24,26(31),27,29-pentadecaene

33,33-di(carbazol-9-yl)-16,16-dimethyl-9-phenyl-9-azaoctacyclo[28.2.1.05,32.06,19.08,17.010,15.020,25.026,31]tritriaconta-1,3,5(32),6,8(17),10,12,14,18,20,22,24,26(31),27,29-pentadecaene (PubChem CID 134428389) has the molecular formula C64H43N3 and a molecular weight of 854.07 g/mol. Its IUPAC name is 33,33-di(carbazol-9-yl)-16,16-dimethyl-9-phenyl-9-azaoctacyclo[28.2.1.05,32.06,19.08,17.010,15.020,25.026,31]tritriaconta-1,3,5(32),6,8(17),10,12,14,18,20,22,24,26(31),27,29-pentadecaene.

Molecular Properties

Compound Name33,33-di(carbazol-9-yl)-16,16-dimethyl-9-phenyl-9-azaoctacyclo[28.2.1.05,32.06,19.08,17.010,15.020,25.026,31]tritriaconta-1,3,5(32),6,8(17),10,12,14,18,20,22,24,26(31),27,29-pentadecaene
PubChem CID134428389
Molecular FormulaC64H43N3
Molecular Weight854.07 g/mol
Exact Mass853.35
IUPAC Name33,33-di(carbazol-9-yl)-16,16-dimethyl-9-phenyl-9-azaoctacyclo[28.2.1.05,32.06,19.08,17.010,15.020,25.026,31]tritriaconta-1,3,5(32),6,8(17),10,12,14,18,20,22,24,26(31),27,29-pentadecaene
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)-c1ccccc1-c1cccc2c1-c1c-3cccc1C2(n1c2ccccc2c2ccccc21)n1c2ccccc2c2ccccc21
InChIInChI=1S/C64H43N3/c1-63(2)51-30-12-17-37-59(51)65(40-20-4-3-5-21-40)60-39-50-48-29-19-32-53-62(48)61-47(41-22-6-7-23-42(41)49(50)38-54(60)63)28-18-31-52(61)64(53,66-55-33-13-8-24-43(55)44-25-9-14-34-56(44)66)67-57-35-15-10-26-45(57)46-27-11-16-36-58(46)67/h3-39H,1-2H3/b47-41-,49-42-,50-48-
InChIKeyRKERKAMWTKYLAB-ZBWNAKHOSA-N
XLogP16.60
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.07
LogP ≤ 516.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 33,33-di(carbazol-9-yl)-16,16-dimethyl-9-phenyl-9-azaoctacyclo[28.2.1.05,32.06,19.08,17.010,15.020,25.026,31]tritriaconta-1,3,5(32),6,8(17),10,12,14,18,20,22,24,26(31),27,29-pentadecaene with MolForge

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Related Compounds

17-carbazol-9-yl-30,30-dimethyl-23-phenyl-23-azaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2,4,6,8,10,12,14(19),15,17,20,22(31),24,26,28-pentadecaene
CID 134428385
30,30-dimethyl-23-phenyl-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene
CID 134428452
11-carbazol-9-yl-26,26-dimethyl-23-phenyl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22(27)-dodecaene;12-carbazol-9-yl-26,26-dimethyl-23-phenyl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8(13),9,11,14,16,18,20,22(27)-dodecaene;15-carbazol-9-yl-26,26-dimethyl-23-phenyl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22(27)-dodecaene;16-carbazol-9-yl-26,26-dimethyl-23-phenyl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22(27)-dodecaene;17-carbazol-9-yl-26,26-dimethyl-23-phenyl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14(19),15,17,20,22(27)-dodecaene;29,29-di(carbazol-9-yl)-12,12-dimethyl-9-phenyl-9-azaheptacyclo[24.2.1.05,28.06,15.08,13.016,21.022,27]nonacosa-1,3,5(28),6,8(13),14,16,18,20,22(27),23,25-dodecaene
CID 157475875
10,10,21,21-tetramethyl-14-(9-phenylcarbazol-3-yl)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 130450658
5,5,16,17,28,28-hexamethyl-12,21-diphenyl-12,21-diazaheptacyclo[16.12.0.02,15.04,13.06,11.020,29.022,27]triaconta-1(30),2,4(13),6,8,10,14,16,18,20(29),22,24,26-tridecaene
CID 58489835
11,11,19,19-tetramethyl-15,26-diphenyl-15,26-diazaheptacyclo[14.12.0.02,14.04,12.05,10.018,27.020,25]octacosa-1(28),2,4(12),5,7,9,13,16,18(27),20,22,24-dodecaene
CID 66805110
29-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-22,22,33,33-tetramethyl-29-azaoctacyclo[16.15.0.03,16.04,9.010,15.019,32.021,30.023,28]tritriaconta-1(18),2,4,6,8,10,12,14,16,19,21(30),23,25,27,31-pentadecaene
CID 140926861
18-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10,21,21-tetramethyl-14-phenyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 118227857
5-(9,9-dimethyl-10-phenylacridin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 67326458
10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318
10-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine
CID 169006724
3-(9,9-dimethyl-10-phenylacridin-3-yl)-9,9-dimethyl-10-phenylacridine
CID 58489784

Frequently Asked Questions

What is the IUPAC name of 33,33-di(carbazol-9-yl)-16,16-dimethyl-9-phenyl-9-azaoctacyclo[28.2.1.05,32.06,19.08,17.010,15.020,25.026,31]tritriaconta-1,3,5(32),6,8(17),10,12,14,18,20,22,24,26(31),27,29-pentadecaene?
The IUPAC name of 33,33-di(carbazol-9-yl)-16,16-dimethyl-9-phenyl-9-azaoctacyclo[28.2.1.05,32.06,19.08,17.010,15.020,25.026,31]tritriaconta-1,3,5(32),6,8(17),10,12,14,18,20,22,24,26(31),27,29-pentadecaene (CID 134428389) is 33,33-di(carbazol-9-yl)-16,16-dimethyl-9-phenyl-9-azaoctacyclo[28.2.1.05,32.06,19.08,17.010,15.020,25.026,31]tritriaconta-1,3,5(32),6,8(17),10,12,14,18,20,22,24,26(31),27,29-pentadecaene.
What is the SMILES notation for 33,33-di(carbazol-9-yl)-16,16-dimethyl-9-phenyl-9-azaoctacyclo[28.2.1.05,32.06,19.08,17.010,15.020,25.026,31]tritriaconta-1,3,5(32),6,8(17),10,12,14,18,20,22,24,26(31),27,29-pentadecaene?
The canonical SMILES for 33,33-di(carbazol-9-yl)-16,16-dimethyl-9-phenyl-9-azaoctacyclo[28.2.1.05,32.06,19.08,17.010,15.020,25.026,31]tritriaconta-1,3,5(32),6,8(17),10,12,14,18,20,22,24,26(31),27,29-pentadecaene is CC1(C)c2ccccc2N(c2ccccc2)c2cc3c(cc21)-c1ccccc1-c1cccc2c1-c1c-3cccc1C2(n1c2ccccc2c2ccccc21)n1c2ccccc2c2ccccc21.
What is the InChIKey of 33,33-di(carbazol-9-yl)-16,16-dimethyl-9-phenyl-9-azaoctacyclo[28.2.1.05,32.06,19.08,17.010,15.020,25.026,31]tritriaconta-1,3,5(32),6,8(17),10,12,14,18,20,22,24,26(31),27,29-pentadecaene?
The InChIKey is RKERKAMWTKYLAB-ZBWNAKHOSA-N. The full InChI is InChI=1S/C64H43N3/c1-63(2)51-30-12-17-37-59(51)65(40-20-4-3-5-21-40)60-39-50-48-29-19-32-53-62(48)61-47(41-22-6-7-23-42(41)49(50)38-54(60)63)28-18-31-52(61)64(53,66-55-33-13-8-24-43(55)44-25-9-14-34-56(44)66)67-57-35-15-10-26-45(57)46-27-11-16-36-58(46)67/h3-39H,1-2H3/b47-41-,49-42-,50-48-.
What are the key properties of 33,33-di(carbazol-9-yl)-16,16-dimethyl-9-phenyl-9-azaoctacyclo[28.2.1.05,32.06,19.08,17.010,15.020,25.026,31]tritriaconta-1,3,5(32),6,8(17),10,12,14,18,20,22,24,26(31),27,29-pentadecaene?
33,33-di(carbazol-9-yl)-16,16-dimethyl-9-phenyl-9-azaoctacyclo[28.2.1.05,32.06,19.08,17.010,15.020,25.026,31]tritriaconta-1,3,5(32),6,8(17),10,12,14,18,20,22,24,26(31),27,29-pentadecaene has a molecular weight of 854.07 g/mol, XLogP of 16.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 33,33-di(carbazol-9-yl)-16,16-dimethyl-9-phenyl-9-azaoctacyclo[28.2.1.05,32.06,19.08,17.010,15.020,25.026,31]tritriaconta-1,3,5(32),6,8(17),10,12,14,18,20,22,24,26(31),27,29-pentadecaene is sourced from PubChem (CID 134428389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).