2,11,16,25-tetraphenyl-8,9,18,19-tetrakis(trifluoromethyl)-6,21,29,30-tetrazaheptacyclo[24.2.1.112,15.02,7.06,10.017,21.020,25]triaconta-1(28),7,9,11,13,15,17,19,26-nonaene-3,24-diol

C54H38F12N4O2 — CID 177490290

IUPAC2,11,16,25-tetraphenyl-8,9,18,19-tetrakis(trifluoromethyl)-6,21,29,30-tetrazaheptacyclo[24.2.1.112,15.02,7.06,10.017,21.020,25]triaconta-1(28),7,9,11,13,15,17,19,26-nonaene-3,24-diol
SMILESOC1CCn2c3c(C(F)(F)F)c(C(F)(F)F)c2C1(c1ccccc1)c1ccc([nH]1)C1(c2ccccc2)c2c(C(F)(F)F)c(C(F)(F)F)c(n2CCC1O)C(c1ccccc1)=c1ccc([nH]1)=C3c1ccccc1
InChIInChI=1S/C54H38F12N4O2/c55-51(56,57)41-43(53(61,62)63)47-49(31-17-9-3-10-18-31)35-23-24-36(68-35)50(32-19-11-4-12-20-32)38(72)26-28-70-46(42(52(58,59)60)44(48(50)70)54(64,65)66)40(30-15-7-2-8-16-30)34-22-21-33(67-34)39(29-13-5-1-6-14-29)45(41)69(47)27-25-37(49)71/h1-24,37-38,67-68,71-72H,25-28H2
InChIKeyKAYUBNUJTUBVAE-UHFFFAOYSA-N
MW1002.90 g/mol
LogP11.03
Rot. Bonds4

About 2,11,16,25-tetraphenyl-8,9,18,19-tetrakis(trifluoromethyl)-6,21,29,30-tetrazaheptacyclo[24.2.1.112,15.02,7.06,10.017,21.020,25]triaconta-1(28),7,9,11,13,15,17,19,26-nonaene-3,24-diol

2,11,16,25-tetraphenyl-8,9,18,19-tetrakis(trifluoromethyl)-6,21,29,30-tetrazaheptacyclo[24.2.1.112,15.02,7.06,10.017,21.020,25]triaconta-1(28),7,9,11,13,15,17,19,26-nonaene-3,24-diol (PubChem CID 177490290) has the molecular formula C54H38F12N4O2 and a molecular weight of 1002.90 g/mol. Its IUPAC name is 2,11,16,25-tetraphenyl-8,9,18,19-tetrakis(trifluoromethyl)-6,21,29,30-tetrazaheptacyclo[24.2.1.112,15.02,7.06,10.017,21.020,25]triaconta-1(28),7,9,11,13,15,17,19,26-nonaene-3,24-diol.

Molecular Properties

Compound Name2,11,16,25-tetraphenyl-8,9,18,19-tetrakis(trifluoromethyl)-6,21,29,30-tetrazaheptacyclo[24.2.1.112,15.02,7.06,10.017,21.020,25]triaconta-1(28),7,9,11,13,15,17,19,26-nonaene-3,24-diol
PubChem CID177490290
Molecular FormulaC54H38F12N4O2
Molecular Weight1002.90 g/mol
Exact Mass1002.28
IUPAC Name2,11,16,25-tetraphenyl-8,9,18,19-tetrakis(trifluoromethyl)-6,21,29,30-tetrazaheptacyclo[24.2.1.112,15.02,7.06,10.017,21.020,25]triaconta-1(28),7,9,11,13,15,17,19,26-nonaene-3,24-diol
SMILESOC1CCn2c3c(C(F)(F)F)c(C(F)(F)F)c2C1(c1ccccc1)c1ccc([nH]1)C1(c2ccccc2)c2c(C(F)(F)F)c(C(F)(F)F)c(n2CCC1O)C(c1ccccc1)=c1ccc([nH]1)=C3c1ccccc1
InChIInChI=1S/C54H38F12N4O2/c55-51(56,57)41-43(53(61,62)63)47-49(31-17-9-3-10-18-31)35-23-24-36(68-35)50(32-19-11-4-12-20-32)38(72)26-28-70-46(42(52(58,59)60)44(48(50)70)54(64,65)66)40(30-15-7-2-8-16-30)34-22-21-33(67-34)39(29-13-5-1-6-14-29)45(41)69(47)27-25-37(49)71/h1-24,37-38,67-68,71-72H,25-28H2
InChIKeyKAYUBNUJTUBVAE-UHFFFAOYSA-N
XLogP11.03
TPSA81.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001002.90
LogP ≤ 511.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2,11,16,25-tetraphenyl-8,9,18,19-tetrakis(trifluoromethyl)-6,21,29,30-tetrazaheptacyclo[24.2.1.112,15.02,7.06,10.017,21.020,25]triaconta-1(28),7,9,11,13,15,17,19,26-nonaene-3,24-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5Z,9Z,15Z,19Z)-5,10,15,20-tetraphenyl-2,3,12,13-tetrakis(trifluoromethyl)-23,24-dihydro-22H-porphyrin-21-yl]propan-1-ol
CID 102296631
(3S,11Z,15Z,24R)-2,11,16,25-tetraphenyl-8,9,18,19-tetrakis(trifluoromethyl)-6,21,29,30-tetrazaheptacyclo[24.2.1.112,15.02,7.06,10.017,21.020,25]triaconta-1(28),7,9,11,13,15,17,19,26-nonaene-3,24-diol
CID 134834394

Frequently Asked Questions

What is the IUPAC name of 2,11,16,25-tetraphenyl-8,9,18,19-tetrakis(trifluoromethyl)-6,21,29,30-tetrazaheptacyclo[24.2.1.112,15.02,7.06,10.017,21.020,25]triaconta-1(28),7,9,11,13,15,17,19,26-nonaene-3,24-diol?
The IUPAC name of 2,11,16,25-tetraphenyl-8,9,18,19-tetrakis(trifluoromethyl)-6,21,29,30-tetrazaheptacyclo[24.2.1.112,15.02,7.06,10.017,21.020,25]triaconta-1(28),7,9,11,13,15,17,19,26-nonaene-3,24-diol (CID 177490290) is 2,11,16,25-tetraphenyl-8,9,18,19-tetrakis(trifluoromethyl)-6,21,29,30-tetrazaheptacyclo[24.2.1.112,15.02,7.06,10.017,21.020,25]triaconta-1(28),7,9,11,13,15,17,19,26-nonaene-3,24-diol.
What is the SMILES notation for 2,11,16,25-tetraphenyl-8,9,18,19-tetrakis(trifluoromethyl)-6,21,29,30-tetrazaheptacyclo[24.2.1.112,15.02,7.06,10.017,21.020,25]triaconta-1(28),7,9,11,13,15,17,19,26-nonaene-3,24-diol?
The canonical SMILES for 2,11,16,25-tetraphenyl-8,9,18,19-tetrakis(trifluoromethyl)-6,21,29,30-tetrazaheptacyclo[24.2.1.112,15.02,7.06,10.017,21.020,25]triaconta-1(28),7,9,11,13,15,17,19,26-nonaene-3,24-diol is OC1CCn2c3c(C(F)(F)F)c(C(F)(F)F)c2C1(c1ccccc1)c1ccc([nH]1)C1(c2ccccc2)c2c(C(F)(F)F)c(C(F)(F)F)c(n2CCC1O)C(c1ccccc1)=c1ccc([nH]1)=C3c1ccccc1.
What is the InChIKey of 2,11,16,25-tetraphenyl-8,9,18,19-tetrakis(trifluoromethyl)-6,21,29,30-tetrazaheptacyclo[24.2.1.112,15.02,7.06,10.017,21.020,25]triaconta-1(28),7,9,11,13,15,17,19,26-nonaene-3,24-diol?
The InChIKey is KAYUBNUJTUBVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38F12N4O2/c55-51(56,57)41-43(53(61,62)63)47-49(31-17-9-3-10-18-31)35-23-24-36(68-35)50(32-19-11-4-12-20-32)38(72)26-28-70-46(42(52(58,59)60)44(48(50)70)54(64,65)66)40(30-15-7-2-8-16-30)34-22-21-33(67-34)39(29-13-5-1-6-14-29)45(41)69(47)27-25-37(49)71/h1-24,37-38,67-68,71-72H,25-28H2.
What are the key properties of 2,11,16,25-tetraphenyl-8,9,18,19-tetrakis(trifluoromethyl)-6,21,29,30-tetrazaheptacyclo[24.2.1.112,15.02,7.06,10.017,21.020,25]triaconta-1(28),7,9,11,13,15,17,19,26-nonaene-3,24-diol?
2,11,16,25-tetraphenyl-8,9,18,19-tetrakis(trifluoromethyl)-6,21,29,30-tetrazaheptacyclo[24.2.1.112,15.02,7.06,10.017,21.020,25]triaconta-1(28),7,9,11,13,15,17,19,26-nonaene-3,24-diol has a molecular weight of 1002.90 g/mol, XLogP of 11.03, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,11,16,25-tetraphenyl-8,9,18,19-tetrakis(trifluoromethyl)-6,21,29,30-tetrazaheptacyclo[24.2.1.112,15.02,7.06,10.017,21.020,25]triaconta-1(28),7,9,11,13,15,17,19,26-nonaene-3,24-diol is sourced from PubChem (CID 177490290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).