15-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),3,5,8,10,12,14(19),15,17,20,22(27),24-tridecaene

C49H32N4 — CID 134428287

IUPAC15-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),3,5,8,10,12,14(19),15,17,20,22(27),24-tridecaene
SMILESc1ccc(-n2ccn(-c3ccccc3)c3cc4c(cc32)c2cccc(-n3c5ccccc5c5ccccc53)c2c2ccccc2c2cccnc24)cc1
InChIInChI=1S/C49H32N4/c1-3-15-33(16-4-1)51-29-30-52(34-17-5-2-6-18-34)47-32-42-41(31-46(47)51)39-23-13-27-45(53-43-25-11-9-20-36(43)37-21-10-12-26-44(37)53)48(39)38-22-8-7-19-35(38)40-24-14-28-50-49(40)42/h1-32H/b40-35-,41-39-,48-38+,49-42+
InChIKeyOUDKISMGHNZTPO-RSOWUJPPSA-N
MW676.82 g/mol
LogP12.65
Rot. Bonds3

About 15-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),3,5,8,10,12,14(19),15,17,20,22(27),24-tridecaene

15-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),3,5,8,10,12,14(19),15,17,20,22(27),24-tridecaene (PubChem CID 134428287) has the molecular formula C49H32N4 and a molecular weight of 676.82 g/mol. Its IUPAC name is 15-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),3,5,8,10,12,14(19),15,17,20,22(27),24-tridecaene.

Molecular Properties

Compound Name15-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),3,5,8,10,12,14(19),15,17,20,22(27),24-tridecaene
PubChem CID134428287
Molecular FormulaC49H32N4
Molecular Weight676.82 g/mol
Exact Mass676.26
IUPAC Name15-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),3,5,8,10,12,14(19),15,17,20,22(27),24-tridecaene
SMILESc1ccc(-n2ccn(-c3ccccc3)c3cc4c(cc32)c2cccc(-n3c5ccccc5c5ccccc53)c2c2ccccc2c2cccnc24)cc1
InChIInChI=1S/C49H32N4/c1-3-15-33(16-4-1)51-29-30-52(34-17-5-2-6-18-34)47-32-42-41(31-46(47)51)39-23-13-27-45(53-43-25-11-9-20-36(43)37-21-10-12-26-44(37)53)48(39)38-22-8-7-19-35(38)40-24-14-28-50-49(40)42/h1-32H/b40-35-,41-39-,48-38+,49-42+
InChIKeyOUDKISMGHNZTPO-RSOWUJPPSA-N
XLogP12.65
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 512.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 15-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),3,5,8,10,12,14(19),15,17,20,22(27),24-tridecaene with MolForge

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Related Compounds

12,15-bis(3-carbazol-9-ylcarbazol-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),24-tridecaene
CID 134428300
10,17-bis(3-carbazol-9-ylcarbazol-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),24-tridecaene
CID 134428301
23-phenyl-6,23-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 140956310
12,15-di(dibenzofuran-4-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),24-tridecaene
CID 134428316
17-carbazol-9-yl-23-phenyl-26-oxa-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),24-tridecaene
CID 134428315
10,17-di(dibenzothiophen-4-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),24-tridecaene
CID 134428348
23-phenyl-6,9,23-triazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,24-dodecaene
CID 140956768
4,24-diphenyl-4,19,24-triazaoctacyclo[19.11.0.02,14.03,11.05,10.015,20.023,31.025,30]dotriaconta-1,3(11),5,7,9,12,14,16,18,20,22,25,27,29,31-pentadecaene;10,24-diphenyl-10,19,24-triazaoctacyclo[19.11.0.02,14.03,11.04,9.015,20.023,31.025,30]dotriaconta-1,3(11),4,6,8,12,14,16,18,20,22,25,27,29,31-pentadecaene;16-phenyl-9,16-diazahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;23-phenyl-6,23-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 159312141
16-phenyl-12,16-diazahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene;22-phenyl-3,22-diazahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaene;22-phenyl-12,22-diazahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2,4,6,8(13),9,11,15(23),16,18,20,24-dodecaene;23-phenyl-3,23-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
CID 159176127
5-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[3,2-b]carbazole
CID 118487924
11,16-di(carbazol-9-yl)-23-phenyl-30-oxa-3,23-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8(13),9,11,14(19),15,17,20,22(31),24,26,28-pentadecaene
CID 134428448
16-phenyl-6,16-diazahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaene;16-phenyl-6,9,16-triazahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1,3,5,7,9,11,13,15(23),17,19,21,24-dodecaene;bis(22-phenyl-6,9,22-triazahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1,3,5,7,9,11,13,15(23),16,18,20,24-dodecaene);23-phenyl-6,9,23-triazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,24-dodecaene
CID 160574115

Frequently Asked Questions

What is the IUPAC name of 15-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),3,5,8,10,12,14(19),15,17,20,22(27),24-tridecaene?
The IUPAC name of 15-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),3,5,8,10,12,14(19),15,17,20,22(27),24-tridecaene (CID 134428287) is 15-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),3,5,8,10,12,14(19),15,17,20,22(27),24-tridecaene.
What is the SMILES notation for 15-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),3,5,8,10,12,14(19),15,17,20,22(27),24-tridecaene?
The canonical SMILES for 15-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),3,5,8,10,12,14(19),15,17,20,22(27),24-tridecaene is c1ccc(-n2ccn(-c3ccccc3)c3cc4c(cc32)c2cccc(-n3c5ccccc5c5ccccc53)c2c2ccccc2c2cccnc24)cc1.
What is the InChIKey of 15-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),3,5,8,10,12,14(19),15,17,20,22(27),24-tridecaene?
The InChIKey is OUDKISMGHNZTPO-RSOWUJPPSA-N. The full InChI is InChI=1S/C49H32N4/c1-3-15-33(16-4-1)51-29-30-52(34-17-5-2-6-18-34)47-32-42-41(31-46(47)51)39-23-13-27-45(53-43-25-11-9-20-36(43)37-21-10-12-26-44(37)53)48(39)38-22-8-7-19-35(38)40-24-14-28-50-49(40)42/h1-32H/b40-35-,41-39-,48-38+,49-42+.
What are the key properties of 15-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),3,5,8,10,12,14(19),15,17,20,22(27),24-tridecaene?
15-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),3,5,8,10,12,14(19),15,17,20,22(27),24-tridecaene has a molecular weight of 676.82 g/mol, XLogP of 12.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-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),3,5,8,10,12,14(19),15,17,20,22(27),24-tridecaene is sourced from PubChem (CID 134428287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).