CID 137451115

C64H43N3 — CID 137451115

IUPAC—
SMILESCc1ccc2c(c1)C1(c3cc(C)ccc3N2c2ccc3c(c2)c2cccc4c5ccccc5n3c42)c2ccccc2C2(c3ccccc3N(c3ccccc3)c3ccccc32)c2ccccc21
InChIInChI=1S/C64H43N3/c1-40-31-34-60-54(37-40)64(55-38-41(2)32-35-61(55)66(60)43-33-36-57-47(39-43)46-21-16-20-45-44-19-6-13-28-56(44)67(57)62(45)46)50-24-9-7-22-48(50)63(49-23-8-10-25-51(49)64)52-26-11-14-29-58(52)65(42-17-4-3-5-18-42)59-30-15-12-27-53(59)63/h3-39H,1-2H3
InChIKeyNTVMGNKYQYTZGN-UHFFFAOYSA-N
MW854.07 g/mol
LogP16.10
Rot. Bonds2

About CID 137451115

CID 137451115 (PubChem CID 137451115) has the molecular formula C64H43N3 and a molecular weight of 854.07 g/mol.

Molecular Properties

Compound NameCID 137451115
PubChem CID137451115
Molecular FormulaC64H43N3
Molecular Weight854.07 g/mol
Exact Mass853.35
IUPAC Name—
SMILESCc1ccc2c(c1)C1(c3cc(C)ccc3N2c2ccc3c(c2)c2cccc4c5ccccc5n3c42)c2ccccc2C2(c3ccccc3N(c3ccccc3)c3ccccc32)c2ccccc21
InChIInChI=1S/C64H43N3/c1-40-31-34-60-54(37-40)64(55-38-41(2)32-35-61(55)66(60)43-33-36-57-47(39-43)46-21-16-20-45-44-19-6-13-28-56(44)67(57)62(45)46)50-24-9-7-22-48(50)63(49-23-8-10-25-51(49)64)52-26-11-14-29-58(52)65(42-17-4-3-5-18-42)59-30-15-12-27-53(59)63/h3-39H,1-2H3
InChIKeyNTVMGNKYQYTZGN-UHFFFAOYSA-N
XLogP16.10
TPSA10.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.07
LogP ≤ 516.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze CID 137451115 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

5-(2,7-dimethyl-9,9-diphenylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 140943868
5-(2,7,9,9-tetramethylacridin-10-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 140943861
10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
CID 135226075
2-methyl-10-(4-methylphenyl)-9,9-diphenylacridine
CID 58029188
3-(9,9-diphenylacridin-10-yl)-11,12-diphenylindolo[2,3-a]carbazole
CID 71127530
5-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 59221908
2,7,9,9-tetramethyl-10-(9-methylcarbazol-3-yl)acridine
CID 158231626
10-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-5',5'-dimethylspiro[acridine-9,10'-benzo[b][1]benzosiline]
CID 140943903
10'-(8,8,14,14,22,22-hexamethyl-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-2',7'-dimethyl-10-phenyl-9,9'-spirobi[acridine]
CID 153437647
16-methylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]
CID 135245562
13,13-dimethyl-6-phenyl-1,6-diazaheptacyclo[15.11.1.02,15.05,14.07,12.021,29.023,28]nonacosa-2(15),3,5(14),7,9,11,17,19,21(29),23,25,27-dodecaene-16,22-dione
CID 165019954
5,11,17-tris(9,9-dimethylacridin-10-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione
CID 171599918

Frequently Asked Questions

What is the IUPAC name of CID 137451115?
The IUPAC name of CID 137451115 (CID 137451115) is not available.
What is the SMILES notation for CID 137451115?
The canonical SMILES for CID 137451115 is Cc1ccc2c(c1)C1(c3cc(C)ccc3N2c2ccc3c(c2)c2cccc4c5ccccc5n3c42)c2ccccc2C2(c3ccccc3N(c3ccccc3)c3ccccc32)c2ccccc21.
What is the InChIKey of CID 137451115?
The InChIKey is NTVMGNKYQYTZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N3/c1-40-31-34-60-54(37-40)64(55-38-41(2)32-35-61(55)66(60)43-33-36-57-47(39-43)46-21-16-20-45-44-19-6-13-28-56(44)67(57)62(45)46)50-24-9-7-22-48(50)63(49-23-8-10-25-51(49)64)52-26-11-14-29-58(52)65(42-17-4-3-5-18-42)59-30-15-12-27-53(59)63/h3-39H,1-2H3.
What are the key properties of CID 137451115?
CID 137451115 has a molecular weight of 854.07 g/mol, XLogP of 16.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 137451115 is sourced from PubChem (CID 137451115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).