CID 160882613

C187H135N13 — CID 160882613

IUPAC—
SMILESCc1ccc2c(c1)C1(c3cc(C)ccc3N2c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc2C2(c3ccccc3N(c3ccccc3)c3ccccc32)c2ccccc21.Cc1ccc2c(c1)C1(c3cc(C)ccc3N2c2cc(-c3ccncc3)nc(-c3ccncc3)c2)c2ccccc2C2(c3ccccc3N(c3ccccc3)c3ccccc32)c2ccccc21.Cc1ccc2c(c1)C1(c3cc(C)ccc3N2c2ccc(-c3nc(C)nc(-c4ccccc4)c3C)cc2)c2ccccc2C2(c3ccccc3N(c3ccccc3)c3ccccc32)c2ccccc21
InChIInChI=1S/C64H48N4.C62H44N4.C61H43N5/c1-41-31-37-59-55(39-41)64(56-40-42(2)32-38-60(56)68(59)48-35-33-46(34-36-48)62-43(3)61(65-44(4)66-62)45-19-7-5-8-20-45)51-25-13-11-23-49(51)63(50-24-12-14-26-52(50)64)53-27-15-17-29-57(53)67(47-21-9-6-10-22-47)58-30-18-16-28-54(58)63;1-41-34-36-57-52(38-41)62(53-39-42(2)35-37-58(53)66(57)59-40-54(43-20-6-3-7-21-43)63-60(64-59)44-22-8-4-9-23-44)48-28-14-12-26-46(48)61(47-27-13-15-29-49(47)62)50-30-16-18-32-55(50)65(45-24-10-5-11-25-45)56-33-19-17-31-51(56)61;1-40-24-26-58-52(36-40)61(53-37-41(2)25-27-59(53)66(58)45-38-54(42-28-32-62-33-29-42)64-55(39-45)43-30-34-63-35-31-43)48-18-8-6-16-46(48)60(47-17-7-9-19-49(47)61)50-20-10-12-22-56(50)65(44-14-4-3-5-15-44)57-23-13-11-21-51(57)60/h5-40H,1-4H3;3-40H,1-2H3;3-39H,1-2H3
InChIKeySNFPOIZFIQWKAB-UHFFFAOYSA-N
MW2564.23 g/mol
LogP45.23
Rot. Bonds12

About CID 160882613

CID 160882613 (PubChem CID 160882613) has the molecular formula C187H135N13 and a molecular weight of 2564.23 g/mol.

Molecular Properties

Compound NameCID 160882613
PubChem CID160882613
Molecular FormulaC187H135N13
Molecular Weight2564.23 g/mol
Exact Mass2562.10
IUPAC Name—
SMILESCc1ccc2c(c1)C1(c3cc(C)ccc3N2c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc2C2(c3ccccc3N(c3ccccc3)c3ccccc32)c2ccccc21.Cc1ccc2c(c1)C1(c3cc(C)ccc3N2c2cc(-c3ccncc3)nc(-c3ccncc3)c2)c2ccccc2C2(c3ccccc3N(c3ccccc3)c3ccccc32)c2ccccc21.Cc1ccc2c(c1)C1(c3cc(C)ccc3N2c2ccc(-c3nc(C)nc(-c4ccccc4)c3C)cc2)c2ccccc2C2(c3ccccc3N(c3ccccc3)c3ccccc32)c2ccccc21
InChIInChI=1S/C64H48N4.C62H44N4.C61H43N5/c1-41-31-37-59-55(39-41)64(56-40-42(2)32-38-60(56)68(59)48-35-33-46(34-36-48)62-43(3)61(65-44(4)66-62)45-19-7-5-8-20-45)51-25-13-11-23-49(51)63(50-24-12-14-26-52(50)64)53-27-15-17-29-57(53)67(47-21-9-6-10-22-47)58-30-18-16-28-54(58)63;1-41-34-36-57-52(38-41)62(53-39-42(2)35-37-58(53)66(57)59-40-54(43-20-6-3-7-21-43)63-60(64-59)44-22-8-4-9-23-44)48-28-14-12-26-46(48)61(47-27-13-15-29-49(47)62)50-30-16-18-32-55(50)65(45-24-10-5-11-25-45)56-33-19-17-31-51(56)61;1-40-24-26-58-52(36-40)61(53-37-41(2)25-27-59(53)66(58)45-38-54(42-28-32-62-33-29-42)64-55(39-45)43-30-34-63-35-31-43)48-18-8-6-16-46(48)60(47-17-7-9-19-49(47)61)50-20-10-12-22-56(50)65(44-14-4-3-5-15-44)57-23-13-11-21-51(57)60/h5-40H,1-4H3;3-40H,1-2H3;3-39H,1-2H3
InChIKeySNFPOIZFIQWKAB-UHFFFAOYSA-N
XLogP45.23
TPSA109.67 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002564.23
LogP ≤ 545.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

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Related Compounds

CID 137451222
CID 137451222
10-[3-[10-[4-(2,5-dimethyl-6-phenylpyrimidin-4-yl)phenyl]-2,7-dimethyl-9-phenylacridin-9-yl]phenyl]spiro[acridine-9,9'-fluorene];10-[4-(2,5-dimethyl-6-phenylpyrimidin-4-yl)phenyl]-3'-(9,10-diphenylacridin-9-yl)-2,7-dimethylspiro[acridine-9,9'-fluorene];9-[4-[10-[4-(2,5-dimethyl-6-phenylpyrimidin-4-yl)phenyl]-9-phenylacridin-9-yl]phenyl]-9,10-diphenylacridine;10-[4-(2,5-dimethyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]-2,7-dimethyl-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine;10-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenyl-9-(9-phenylcarbazol-3-yl)acridine
CID 159067443
10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
CID 71007094
2',10-diphenyl-4'-pyridin-4-ylspiro[acridine-9,5'-indeno[1,2-d]pyrimidine]
CID 118372584
2'-(2,6-diphenylpyrimidin-4-yl)-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263417
2-methyl-10-(4-methylphenyl)-9,9-diphenylacridine
CID 58029188
2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465104
4-(4-methylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine
CID 138662738
3-carbazol-9-yl-9-[4-(3-phenylpyrazin-2-yl)phenyl]carbazole;2,7-dimethyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];9,9-diphenyl-10-[4-(6-phenylpyrazin-2-yl)phenyl]acridine;2,7-diphenyl-10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[acridine-9,9'-fluorene];10-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]-9,9-diphenylacridine;10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-fluorene];10-(4-pyrimidin-2-ylphenyl)spiro[acridine-9,9'-xanthene]
CID 158998878
10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
CID 135226075
2-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 158956061
2-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-10-phenylacridine
CID 71007179

Frequently Asked Questions

What is the IUPAC name of CID 160882613?
The IUPAC name of CID 160882613 (CID 160882613) is not available.
What is the SMILES notation for CID 160882613?
The canonical SMILES for CID 160882613 is Cc1ccc2c(c1)C1(c3cc(C)ccc3N2c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc2C2(c3ccccc3N(c3ccccc3)c3ccccc32)c2ccccc21.Cc1ccc2c(c1)C1(c3cc(C)ccc3N2c2cc(-c3ccncc3)nc(-c3ccncc3)c2)c2ccccc2C2(c3ccccc3N(c3ccccc3)c3ccccc32)c2ccccc21.Cc1ccc2c(c1)C1(c3cc(C)ccc3N2c2ccc(-c3nc(C)nc(-c4ccccc4)c3C)cc2)c2ccccc2C2(c3ccccc3N(c3ccccc3)c3ccccc32)c2ccccc21.
What is the InChIKey of CID 160882613?
The InChIKey is SNFPOIZFIQWKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H48N4.C62H44N4.C61H43N5/c1-41-31-37-59-55(39-41)64(56-40-42(2)32-38-60(56)68(59)48-35-33-46(34-36-48)62-43(3)61(65-44(4)66-62)45-19-7-5-8-20-45)51-25-13-11-23-49(51)63(50-24-12-14-26-52(50)64)53-27-15-17-29-57(53)67(47-21-9-6-10-22-47)58-30-18-16-28-54(58)63;1-41-34-36-57-52(38-41)62(53-39-42(2)35-37-58(53)66(57)59-40-54(43-20-6-3-7-21-43)63-60(64-59)44-22-8-4-9-23-44)48-28-14-12-26-46(48)61(47-27-13-15-29-49(47)62)50-30-16-18-32-55(50)65(45-24-10-5-11-25-45)56-33-19-17-31-51(56)61;1-40-24-26-58-52(36-40)61(53-37-41(2)25-27-59(53)66(58)45-38-54(42-28-32-62-33-29-42)64-55(39-45)43-30-34-63-35-31-43)48-18-8-6-16-46(48)60(47-17-7-9-19-49(47)61)50-20-10-12-22-56(50)65(44-14-4-3-5-15-44)57-23-13-11-21-51(57)60/h5-40H,1-4H3;3-40H,1-2H3;3-39H,1-2H3.
What are the key properties of CID 160882613?
CID 160882613 has a molecular weight of 2564.23 g/mol, XLogP of 45.23, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160882613 is sourced from PubChem (CID 160882613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).