7-phenyl-18-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene

C48H33N3 — CID 170651797

IUPAC7-phenyl-18-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1ccc(N3c4cccc(c4)-c4cccc(c4)N(c4ccccc4)c4cccc(c4)-c4cccc3c4)cc1n2-c1ccccc1
InChIInChI=1S/C48H33N3/c1-3-17-38(18-4-1)49-40-21-9-13-34(29-40)36-15-11-23-42(31-36)50(43-24-12-16-37(32-43)35-14-10-22-41(49)30-35)44-27-28-46-45-25-7-8-26-47(45)51(48(46)33-44)39-19-5-2-6-20-39/h1-33H/i7D,8D,25D,26D
InChIKeyBURLXZDOIUFGQQ-KZLIRUJASA-N
MW655.84 g/mol
LogP13.37
Rot. Bonds3

About 7-phenyl-18-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene

7-phenyl-18-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene (PubChem CID 170651797) has the molecular formula C48H33N3 and a molecular weight of 655.84 g/mol. Its IUPAC name is 7-phenyl-18-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene.

Molecular Properties

Compound Name7-phenyl-18-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene
PubChem CID170651797
Molecular FormulaC48H33N3
Molecular Weight655.84 g/mol
Exact Mass655.29
IUPAC Name7-phenyl-18-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1ccc(N3c4cccc(c4)-c4cccc(c4)N(c4ccccc4)c4cccc(c4)-c4cccc3c4)cc1n2-c1ccccc1
InChIInChI=1S/C48H33N3/c1-3-17-38(18-4-1)49-40-21-9-13-34(29-40)36-15-11-23-42(31-36)50(43-24-12-16-37(32-43)35-14-10-22-41(49)30-35)44-27-28-46-45-25-7-8-26-47(45)51(48(46)33-44)39-19-5-2-6-20-39/h1-33H/i7D,8D,25D,26D
InChIKeyBURLXZDOIUFGQQ-KZLIRUJASA-N
XLogP13.37
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.84
LogP ≤ 513.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-phenyl-18-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene 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

7-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene
CID 170652048
7,18-bis(9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene
CID 170651750
1,2,3,4,5,7,8-heptadeuterio-9-phenylcarbazole
CID 164843391
2-phenyl-13-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-2,13-diazahexacyclo[12.8.4.13,7.18,12.017,25.020,24]octacosa-1(23),3,5,7(28),8(27),9,11,14(26),15,17(25),18,20(24),21-tridecaene
CID 170652129
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[4-(4-deuteriophenyl)phenyl]carbazol-2-yl]carbazole
CID 170517578
4,5,6,7,11,12,16,17,18,19-decadeuterio-9-(4-phenylphenyl)-14-[3-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176851608
1,2,3,4-tetradeuterio-9-[9-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517488
1,2,3,4-tetradeuterio-9-[9-[3-(2,4,6-trideuteriophenyl)phenyl]carbazol-3-yl]carbazole
CID 170517583
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(3-dibenzofuran-3-ylphenyl)phenyl]carbazole
CID 166046910
1,2,3,4,6,7,8,9,10,11-decadeuterio-5-phenyl-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 172515231
1,2,3,4-tetradeuterio-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(2-phenylphenyl)carbazole
CID 177275579
1,2,3,4,5,6,7,8-octadeuterio-9-[9-[1,2,4,5,6,7,8-heptadeuterio-9-[3-(2,6-dideuteriophenyl)phenyl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 170517742

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-18-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene?
The IUPAC name of 7-phenyl-18-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene (CID 170651797) is 7-phenyl-18-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene.
What is the SMILES notation for 7-phenyl-18-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene?
The canonical SMILES for 7-phenyl-18-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene is [2H]c1c([2H])c([2H])c2c(c1[2H])c1ccc(N3c4cccc(c4)-c4cccc(c4)N(c4ccccc4)c4cccc(c4)-c4cccc3c4)cc1n2-c1ccccc1.
What is the InChIKey of 7-phenyl-18-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene?
The InChIKey is BURLXZDOIUFGQQ-KZLIRUJASA-N. The full InChI is InChI=1S/C48H33N3/c1-3-17-38(18-4-1)49-40-21-9-13-34(29-40)36-15-11-23-42(31-36)50(43-24-12-16-37(32-43)35-14-10-22-41(49)30-35)44-27-28-46-45-25-7-8-26-47(45)51(48(46)33-44)39-19-5-2-6-20-39/h1-33H/i7D,8D,25D,26D.
What are the key properties of 7-phenyl-18-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene?
7-phenyl-18-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene has a molecular weight of 655.84 g/mol, XLogP of 13.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-18-(5,6,7,8-tetradeuterio-9-phenylcarbazol-2-yl)-7,18-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene is sourced from PubChem (CID 170651797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).