5,18-di(carbazol-9-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene

C42H26N4 — CID 59147476

IUPAC5,18-di(carbazol-9-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2[nH]c3ccc4[nH]c5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3c2c1
InChIInChI=1S/C42H26N4/c1-5-13-37-27(9-1)28-10-2-6-14-38(28)45(37)25-17-19-33-31(23-25)41-35(43-33)21-22-36-42(41)32-24-26(18-20-34(32)44-36)46-39-15-7-3-11-29(39)30-12-4-8-16-40(30)46/h1-24,43-44H
InChIKeyXWJZWSTUBHIGCW-UHFFFAOYSA-N
MW586.70 g/mol
LogP11.15
Rot. Bonds2

About 5,18-di(carbazol-9-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene

5,18-di(carbazol-9-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene (PubChem CID 59147476) has the molecular formula C42H26N4 and a molecular weight of 586.70 g/mol. Its IUPAC name is 5,18-di(carbazol-9-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene.

Molecular Properties

Compound Name5,18-di(carbazol-9-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
PubChem CID59147476
Molecular FormulaC42H26N4
Molecular Weight586.70 g/mol
Exact Mass586.22
IUPAC Name5,18-di(carbazol-9-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2[nH]c3ccc4[nH]c5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3c2c1
InChIInChI=1S/C42H26N4/c1-5-13-37-27(9-1)28-10-2-6-14-38(28)45(37)25-17-19-33-31(23-25)41-35(43-33)21-22-36-42(41)32-24-26(18-20-34(32)44-36)46-39-15-7-3-11-29(39)30-12-4-8-16-40(30)46/h1-24,43-44H
InChIKeyXWJZWSTUBHIGCW-UHFFFAOYSA-N
XLogP11.15
TPSA41.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.70
LogP ≤ 511.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5,18-di(carbazol-9-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,18-di(carbazol-9-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene?
The IUPAC name of 5,18-di(carbazol-9-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene (CID 59147476) is 5,18-di(carbazol-9-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene.
What is the SMILES notation for 5,18-di(carbazol-9-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene?
The canonical SMILES for 5,18-di(carbazol-9-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene is c1ccc2c(c1)c1ccccc1n2-c1ccc2[nH]c3ccc4[nH]c5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3c2c1.
What is the InChIKey of 5,18-di(carbazol-9-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene?
The InChIKey is XWJZWSTUBHIGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4/c1-5-13-37-27(9-1)28-10-2-6-14-38(28)45(37)25-17-19-33-31(23-25)41-35(43-33)21-22-36-42(41)32-24-26(18-20-34(32)44-36)46-39-15-7-3-11-29(39)30-12-4-8-16-40(30)46/h1-24,43-44H.
What are the key properties of 5,18-di(carbazol-9-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene?
5,18-di(carbazol-9-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene has a molecular weight of 586.70 g/mol, XLogP of 11.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,18-di(carbazol-9-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene is sourced from PubChem (CID 59147476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).