10,12,14,15-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8,11(27),12,14,16,18,20,22-dodecaene

C48H34N4 — CID 149434413

IUPAC10,12,14,15-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8,11(27),12,14,16,18,20,22-dodecaene
SMILESC1=CC2=c3cc4[nH]c(c(-c5ccccc5)c5nc(cc6ccc(cc(n3)C2C=C1)[nH]6)=CC5c1ccccc1)c(-c1ccccc1)c4-c1ccccc1
InChIInChI=1S/C48H34N4/c1-5-15-31(16-6-1)40-28-37-27-35-25-26-36(49-35)29-41-38-23-13-14-24-39(38)42(51-41)30-43-44(32-17-7-2-8-18-32)45(33-19-9-3-10-20-33)48(52-43)46(47(40)50-37)34-21-11-4-12-22-34/h1-30,38,40,49,52H/b35-27-,36-29-,43-30-,48-46-
InChIKeyOAHAILJUHJJLFX-BHWKKBOPSA-N
MW666.83 g/mol
LogP9.99
Rot. Bonds4

About 10,12,14,15-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8,11(27),12,14,16,18,20,22-dodecaene

10,12,14,15-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8,11(27),12,14,16,18,20,22-dodecaene (PubChem CID 149434413) has the molecular formula C48H34N4 and a molecular weight of 666.83 g/mol. Its IUPAC name is 10,12,14,15-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8,11(27),12,14,16,18,20,22-dodecaene.

Molecular Properties

Compound Name10,12,14,15-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8,11(27),12,14,16,18,20,22-dodecaene
PubChem CID149434413
Molecular FormulaC48H34N4
Molecular Weight666.83 g/mol
Exact Mass666.28
IUPAC Name10,12,14,15-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8,11(27),12,14,16,18,20,22-dodecaene
SMILESC1=CC2=c3cc4[nH]c(c(-c5ccccc5)c5nc(cc6ccc(cc(n3)C2C=C1)[nH]6)=CC5c1ccccc1)c(-c1ccccc1)c4-c1ccccc1
InChIInChI=1S/C48H34N4/c1-5-15-31(16-6-1)40-28-37-27-35-25-26-36(49-35)29-41-38-23-13-14-24-39(38)42(51-41)30-43-44(32-17-7-2-8-18-32)45(33-19-9-3-10-20-33)48(52-43)46(47(40)50-37)34-21-11-4-12-22-34/h1-30,38,40,49,52H/b35-27-,36-29-,43-30-,48-46-
InChIKeyOAHAILJUHJJLFX-BHWKKBOPSA-N
XLogP9.99
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.83
LogP ≤ 59.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 10,12,14,15-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8,11(27),12,14,16,18,20,22-dodecaene with MolForge

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Related Compounds

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2,13,24,35-Tetrakis(2,3,4,5,6-pentafluorophenyl)-7,8,18,19,29,30,40,41-octakis-phenyl-45,46,47,48,49,50,51,52-octazanonacyclo[40.2.1.13,6.19,12.114,17.120,23.125,28.131,34.136,39]dopentaconta-1(45),2,4,6,8,10,12(51),13,15,17,19,21,23(49),24,26,28,30,32,34(47),35,37,39,41,43-tetracosaene
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Frequently Asked Questions

What is the IUPAC name of 10,12,14,15-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8,11(27),12,14,16,18,20,22-dodecaene?
The IUPAC name of 10,12,14,15-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8,11(27),12,14,16,18,20,22-dodecaene (CID 149434413) is 10,12,14,15-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8,11(27),12,14,16,18,20,22-dodecaene.
What is the SMILES notation for 10,12,14,15-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8,11(27),12,14,16,18,20,22-dodecaene?
The canonical SMILES for 10,12,14,15-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8,11(27),12,14,16,18,20,22-dodecaene is C1=CC2=c3cc4[nH]c(c(-c5ccccc5)c5nc(cc6ccc(cc(n3)C2C=C1)[nH]6)=CC5c1ccccc1)c(-c1ccccc1)c4-c1ccccc1.
What is the InChIKey of 10,12,14,15-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8,11(27),12,14,16,18,20,22-dodecaene?
The InChIKey is OAHAILJUHJJLFX-BHWKKBOPSA-N. The full InChI is InChI=1S/C48H34N4/c1-5-15-31(16-6-1)40-28-37-27-35-25-26-36(49-35)29-41-38-23-13-14-24-39(38)42(51-41)30-43-44(32-17-7-2-8-18-32)45(33-19-9-3-10-20-33)48(52-43)46(47(40)50-37)34-21-11-4-12-22-34/h1-30,38,40,49,52H/b35-27-,36-29-,43-30-,48-46-.
What are the key properties of 10,12,14,15-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8,11(27),12,14,16,18,20,22-dodecaene?
10,12,14,15-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8,11(27),12,14,16,18,20,22-dodecaene has a molecular weight of 666.83 g/mol, XLogP of 9.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,12,14,15-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8,11(27),12,14,16,18,20,22-dodecaene is sourced from PubChem (CID 149434413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).