2,8,17,23-tetraphenyl-2,8,17,23-tetrazaheptacyclo[22.6.2.29,16.13,7.118,22.010,15.025,30]hexatriaconta-1(31),3(36),4,6,9(35),10,12,14,16(34),18,20,22(33),24(32),25,27,29-hexadecaene

C56H40N4 — CID 20741003

IUPAC2,8,17,23-tetraphenyl-2,8,17,23-tetrazaheptacyclo[22.6.2.29,16.13,7.118,22.010,15.025,30]hexatriaconta-1(31),3(36),4,6,9(35),10,12,14,16(34),18,20,22(33),24(32),25,27,29-hexadecaene
SMILESc1ccc(-n2c3cccc(c3)n(-c3ccccc3)c3ccc(c4ccccc43)n(-c3ccccc3)c3cccc(c3)n(-c3ccccc3)c3ccc2c2ccccc23)cc1
InChIInChI=1S/C56H40N4/c1-5-19-41(20-6-1)57-45-27-17-28-46(39-45)58(42-21-7-2-8-22-42)55-37-38-56(52-34-16-15-33-51(52)55)60(44-25-11-4-12-26-44)48-30-18-29-47(40-48)59(43-23-9-3-10-24-43)54-36-35-53(57)49-31-13-14-32-50(49)54/h1-40H
InChIKeyLXRCPTHAMKVPDR-UHFFFAOYSA-N
MW768.96 g/mol
LogP14.58
Rot. Bonds4

About 2,8,17,23-tetraphenyl-2,8,17,23-tetrazaheptacyclo[22.6.2.29,16.13,7.118,22.010,15.025,30]hexatriaconta-1(31),3(36),4,6,9(35),10,12,14,16(34),18,20,22(33),24(32),25,27,29-hexadecaene

2,8,17,23-tetraphenyl-2,8,17,23-tetrazaheptacyclo[22.6.2.29,16.13,7.118,22.010,15.025,30]hexatriaconta-1(31),3(36),4,6,9(35),10,12,14,16(34),18,20,22(33),24(32),25,27,29-hexadecaene (PubChem CID 20741003) has the molecular formula C56H40N4 and a molecular weight of 768.96 g/mol. Its IUPAC name is 2,8,17,23-tetraphenyl-2,8,17,23-tetrazaheptacyclo[22.6.2.29,16.13,7.118,22.010,15.025,30]hexatriaconta-1(31),3(36),4,6,9(35),10,12,14,16(34),18,20,22(33),24(32),25,27,29-hexadecaene.

Molecular Properties

Compound Name2,8,17,23-tetraphenyl-2,8,17,23-tetrazaheptacyclo[22.6.2.29,16.13,7.118,22.010,15.025,30]hexatriaconta-1(31),3(36),4,6,9(35),10,12,14,16(34),18,20,22(33),24(32),25,27,29-hexadecaene
PubChem CID20741003
Molecular FormulaC56H40N4
Molecular Weight768.96 g/mol
Exact Mass768.33
IUPAC Name2,8,17,23-tetraphenyl-2,8,17,23-tetrazaheptacyclo[22.6.2.29,16.13,7.118,22.010,15.025,30]hexatriaconta-1(31),3(36),4,6,9(35),10,12,14,16(34),18,20,22(33),24(32),25,27,29-hexadecaene
SMILESc1ccc(-n2c3cccc(c3)n(-c3ccccc3)c3ccc(c4ccccc43)n(-c3ccccc3)c3cccc(c3)n(-c3ccccc3)c3ccc2c2ccccc23)cc1
InChIInChI=1S/C56H40N4/c1-5-19-41(20-6-1)57-45-27-17-28-46(39-45)58(42-21-7-2-8-22-42)55-37-38-56(52-34-16-15-33-51(52)55)60(44-25-11-4-12-26-44)48-30-18-29-47(40-48)59(43-23-9-3-10-24-43)54-36-35-53(57)49-31-13-14-32-50(49)54/h1-40H
InChIKeyLXRCPTHAMKVPDR-UHFFFAOYSA-N
XLogP14.58
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.96
LogP ≤ 514.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,8,17,23-tetraphenyl-2,8,17,23-tetrazaheptacyclo[22.6.2.29,16.13,7.118,22.010,15.025,30]hexatriaconta-1(31),3(36),4,6,9(35),10,12,14,16(34),18,20,22(33),24(32),25,27,29-hexadecaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,8,17,23-tetraphenyl-2,8,17,23-tetrazaheptacyclo[22.6.2.29,16.13,7.118,22.010,15.025,30]hexatriaconta-1(31),3(36),4,6,9(35),10,12,14,16(34),18,20,22(33),24(32),25,27,29-hexadecaene?
The IUPAC name of 2,8,17,23-tetraphenyl-2,8,17,23-tetrazaheptacyclo[22.6.2.29,16.13,7.118,22.010,15.025,30]hexatriaconta-1(31),3(36),4,6,9(35),10,12,14,16(34),18,20,22(33),24(32),25,27,29-hexadecaene (CID 20741003) is 2,8,17,23-tetraphenyl-2,8,17,23-tetrazaheptacyclo[22.6.2.29,16.13,7.118,22.010,15.025,30]hexatriaconta-1(31),3(36),4,6,9(35),10,12,14,16(34),18,20,22(33),24(32),25,27,29-hexadecaene.
What is the SMILES notation for 2,8,17,23-tetraphenyl-2,8,17,23-tetrazaheptacyclo[22.6.2.29,16.13,7.118,22.010,15.025,30]hexatriaconta-1(31),3(36),4,6,9(35),10,12,14,16(34),18,20,22(33),24(32),25,27,29-hexadecaene?
The canonical SMILES for 2,8,17,23-tetraphenyl-2,8,17,23-tetrazaheptacyclo[22.6.2.29,16.13,7.118,22.010,15.025,30]hexatriaconta-1(31),3(36),4,6,9(35),10,12,14,16(34),18,20,22(33),24(32),25,27,29-hexadecaene is c1ccc(-n2c3cccc(c3)n(-c3ccccc3)c3ccc(c4ccccc43)n(-c3ccccc3)c3cccc(c3)n(-c3ccccc3)c3ccc2c2ccccc23)cc1.
What is the InChIKey of 2,8,17,23-tetraphenyl-2,8,17,23-tetrazaheptacyclo[22.6.2.29,16.13,7.118,22.010,15.025,30]hexatriaconta-1(31),3(36),4,6,9(35),10,12,14,16(34),18,20,22(33),24(32),25,27,29-hexadecaene?
The InChIKey is LXRCPTHAMKVPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N4/c1-5-19-41(20-6-1)57-45-27-17-28-46(39-45)58(42-21-7-2-8-22-42)55-37-38-56(52-34-16-15-33-51(52)55)60(44-25-11-4-12-26-44)48-30-18-29-47(40-48)59(43-23-9-3-10-24-43)54-36-35-53(57)49-31-13-14-32-50(49)54/h1-40H.
What are the key properties of 2,8,17,23-tetraphenyl-2,8,17,23-tetrazaheptacyclo[22.6.2.29,16.13,7.118,22.010,15.025,30]hexatriaconta-1(31),3(36),4,6,9(35),10,12,14,16(34),18,20,22(33),24(32),25,27,29-hexadecaene?
2,8,17,23-tetraphenyl-2,8,17,23-tetrazaheptacyclo[22.6.2.29,16.13,7.118,22.010,15.025,30]hexatriaconta-1(31),3(36),4,6,9(35),10,12,14,16(34),18,20,22(33),24(32),25,27,29-hexadecaene has a molecular weight of 768.96 g/mol, XLogP of 14.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,17,23-tetraphenyl-2,8,17,23-tetrazaheptacyclo[22.6.2.29,16.13,7.118,22.010,15.025,30]hexatriaconta-1(31),3(36),4,6,9(35),10,12,14,16(34),18,20,22(33),24(32),25,27,29-hexadecaene is sourced from PubChem (CID 20741003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).