11,16-di(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(19),15,17,20,22(27)-dodecaene

C59H43N3 — CID 134428174

IUPAC11,16-di(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(19),15,17,20,22(27)-dodecaene
SMILESCC1(C)CCN(c2ccccc2)c2cc3c(cc21)-c1ccccc1-c1ccc(-n2c4ccccc4c4ccccc42)cc1-c1cc(-n2c4ccccc4c4ccccc42)ccc1-3
InChIInChI=1S/C59H43N3/c1-59(2)32-33-60(38-16-4-3-5-17-38)58-37-52-44-31-29-40(62-56-26-14-10-22-47(56)48-23-11-15-27-57(48)62)35-50(44)49-34-39(61-54-24-12-8-20-45(54)46-21-9-13-25-55(46)61)28-30-43(49)41-18-6-7-19-42(41)51(52)36-53(58)59/h3-31,34-37H,32-33H2,1-2H3/b43-41-,50-49-,51-42-,52-44-
InChIKeyXORGLRGXAFLQDH-WOGDJDAASA-N
MW794.01 g/mol
LogP15.68
Rot. Bonds3

About 11,16-di(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(19),15,17,20,22(27)-dodecaene

11,16-di(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(19),15,17,20,22(27)-dodecaene (PubChem CID 134428174) has the molecular formula C59H43N3 and a molecular weight of 794.01 g/mol. Its IUPAC name is 11,16-di(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(19),15,17,20,22(27)-dodecaene.

Molecular Properties

Compound Name11,16-di(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(19),15,17,20,22(27)-dodecaene
PubChem CID134428174
Molecular FormulaC59H43N3
Molecular Weight794.01 g/mol
Exact Mass793.35
IUPAC Name11,16-di(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(19),15,17,20,22(27)-dodecaene
SMILESCC1(C)CCN(c2ccccc2)c2cc3c(cc21)-c1ccccc1-c1ccc(-n2c4ccccc4c4ccccc42)cc1-c1cc(-n2c4ccccc4c4ccccc42)ccc1-3
InChIInChI=1S/C59H43N3/c1-59(2)32-33-60(38-16-4-3-5-17-38)58-37-52-44-31-29-40(62-56-26-14-10-22-47(56)48-23-11-15-27-57(48)62)35-50(44)49-34-39(61-54-24-12-8-20-45(54)46-21-9-13-25-55(46)61)28-30-43(49)41-18-6-7-19-42(41)51(52)36-53(58)59/h3-31,34-37H,32-33H2,1-2H3/b43-41-,50-49-,51-42-,52-44-
InChIKeyXORGLRGXAFLQDH-WOGDJDAASA-N
XLogP15.68
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.01
LogP ≤ 515.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11,16-di(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(19),15,17,20,22(27)-dodecaene with MolForge

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Related Compounds

11,16-di(carbazol-9-yl)-26,26-dimethyl-23-phenyl-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27)-dodecaene
CID 134428222
16-carbazol-9-yl-26,26-dimethyl-23-phenyl-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene
CID 134428228
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
5,10-di(carbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene
CID 134428162
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
11,16-di(carbazol-9-yl)-23,26-diphenyl-3,23,26-triazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14(19),15,17,20,22(27)-dodecaene
CID 134428203
6,9-bis(3-carbazol-9-ylcarbazol-9-yl)-23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene
CID 134428145
3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole
CID 168811183
5-(4-phenylphenyl)-11-tetraphenylen-2-ylindolo[3,2-b]carbazole
CID 138568989
3-(9-phenylcarbazol-3-yl)-9-[4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]phenyl]carbazole
CID 170277828
23,26-diphenyl-23,26-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22(27)-dodecaene
CID 134428142
12-(9,9-dimethylfluoren-3-yl)-22-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118502094

Frequently Asked Questions

What is the IUPAC name of 11,16-di(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(19),15,17,20,22(27)-dodecaene?
The IUPAC name of 11,16-di(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(19),15,17,20,22(27)-dodecaene (CID 134428174) is 11,16-di(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(19),15,17,20,22(27)-dodecaene.
What is the SMILES notation for 11,16-di(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(19),15,17,20,22(27)-dodecaene?
The canonical SMILES for 11,16-di(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(19),15,17,20,22(27)-dodecaene is CC1(C)CCN(c2ccccc2)c2cc3c(cc21)-c1ccccc1-c1ccc(-n2c4ccccc4c4ccccc42)cc1-c1cc(-n2c4ccccc4c4ccccc42)ccc1-3.
What is the InChIKey of 11,16-di(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(19),15,17,20,22(27)-dodecaene?
The InChIKey is XORGLRGXAFLQDH-WOGDJDAASA-N. The full InChI is InChI=1S/C59H43N3/c1-59(2)32-33-60(38-16-4-3-5-17-38)58-37-52-44-31-29-40(62-56-26-14-10-22-47(56)48-23-11-15-27-57(48)62)35-50(44)49-34-39(61-54-24-12-8-20-45(54)46-21-9-13-25-55(46)61)28-30-43(49)41-18-6-7-19-42(41)51(52)36-53(58)59/h3-31,34-37H,32-33H2,1-2H3/b43-41-,50-49-,51-42-,52-44-.
What are the key properties of 11,16-di(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(19),15,17,20,22(27)-dodecaene?
11,16-di(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(19),15,17,20,22(27)-dodecaene has a molecular weight of 794.01 g/mol, XLogP of 15.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11,16-di(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(19),15,17,20,22(27)-dodecaene is sourced from PubChem (CID 134428174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).