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

C43H27N3O — CID 134428315

IUPAC17-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
SMILESc1ccc(-n2ccoc3cc4c(cc32)c2cc(-n3c5ccccc5c5ccccc53)ccc2c2ccccc2c2cccnc24)cc1
InChIInChI=1S/C43H27N3O/c1-2-11-28(12-3-1)45-23-24-47-42-27-38-37(26-41(42)45)36-25-29(46-39-18-8-6-15-33(39)34-16-7-9-19-40(34)46)20-21-32(36)30-13-4-5-14-31(30)35-17-10-22-44-43(35)38/h1-27H/b32-30-,35-31-,37-36-,43-38+
InChIKeyKWOZHZOEMUWTHD-RWMHOWRCSA-N
MW601.71 g/mol
LogP11.45
Rot. Bonds2

About 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

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 (PubChem CID 134428315) has the molecular formula C43H27N3O and a molecular weight of 601.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name17-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
PubChem CID134428315
Molecular FormulaC43H27N3O
Molecular Weight601.71 g/mol
Exact Mass601.22
IUPAC Name17-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
SMILESc1ccc(-n2ccoc3cc4c(cc32)c2cc(-n3c5ccccc5c5ccccc53)ccc2c2ccccc2c2cccnc24)cc1
InChIInChI=1S/C43H27N3O/c1-2-11-28(12-3-1)45-23-24-47-42-27-38-37(26-41(42)45)36-25-29(46-39-18-8-6-15-33(39)34-16-7-9-19-40(34)46)20-21-32(36)30-13-4-5-14-31(30)35-17-10-22-44-43(35)38/h1-27H/b32-30-,35-31-,37-36-,43-38+
InChIKeyKWOZHZOEMUWTHD-RWMHOWRCSA-N
XLogP11.45
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.71
LogP ≤ 511.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

10-carbazol-9-yl-26-phenyl-23-oxa-26-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),24-tridecaene
CID 134428276
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
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
25-(3-carbazol-9-ylcarbazol-9-yl)-11,18,31-triphenyl-38-oxa-3,11,18,31-tetrazanonacyclo[26.12.0.02,7.08,21.010,19.012,17.022,27.030,39.032,37]tetraconta-1(40),2(7),3,5,8,10(19),12,14,16,20,22(27),23,25,28,30(39),32,34,36-octadecaene
CID 134428548
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
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
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
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
9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole
CID 122548627
5-(16-pyrido[3,2-b]indol-5-yl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-6-yl)pyrido[3,2-b]indole
CID 59147166
5,11-bis(benzo[h]quinolin-8-yl)indolo[3,2-b]carbazole
CID 118487867
5,11-di(triphenylen-2-yl)indolo[3,2-b]carbazole
CID 166009559

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2ccoc3cc4c(cc32)c2cc(-n3c5ccccc5c5ccccc53)ccc2c2ccccc2c2cccnc24)cc1.
What is the InChIKey of 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?
The InChIKey is KWOZHZOEMUWTHD-RWMHOWRCSA-N. The full InChI is InChI=1S/C43H27N3O/c1-2-11-28(12-3-1)45-23-24-47-42-27-38-37(26-41(42)45)36-25-29(46-39-18-8-6-15-33(39)34-16-7-9-19-40(34)46)20-21-32(36)30-13-4-5-14-31(30)35-17-10-22-44-43(35)38/h1-27H/b32-30-,35-31-,37-36-,43-38+.
What are the key properties of 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?
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 has a molecular weight of 601.71 g/mol, XLogP of 11.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134428315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).