CID 137451222

C66H52N4 — CID 137451222

IUPAC—
SMILESCc1ccc2c(c1)C1(c3cc(C)ccc3N2c2ccccc2)c2ccccc2C2(c3cc(C)ccc3N(c3ccc(-c4nc(C)nc(-c5ccccc5)c4C)cc3)c3ccc(C)cc32)c2ccccc21
InChIInChI=1S/C66H52N4/c1-41-25-33-59-55(37-41)65(56-38-42(2)26-34-60(56)69(59)49-19-11-8-12-20-49)51-21-13-15-23-53(51)66(54-24-16-14-22-52(54)65)57-39-43(3)27-35-61(57)70(62-36-28-44(4)40-58(62)66)50-31-29-48(30-32-50)64-45(5)63(67-46(6)68-64)47-17-9-7-10-18-47/h7-40H,1-6H3
InChIKeyHEHYDHWGMJKORV-UHFFFAOYSA-N
MW901.17 g/mol
LogP16.31
Rot. Bonds4

About CID 137451222

CID 137451222 (PubChem CID 137451222) has the molecular formula C66H52N4 and a molecular weight of 901.17 g/mol.

Molecular Properties

Compound NameCID 137451222
PubChem CID137451222
Molecular FormulaC66H52N4
Molecular Weight901.17 g/mol
Exact Mass900.42
IUPAC Name—
SMILESCc1ccc2c(c1)C1(c3cc(C)ccc3N2c2ccccc2)c2ccccc2C2(c3cc(C)ccc3N(c3ccc(-c4nc(C)nc(-c5ccccc5)c4C)cc3)c3ccc(C)cc32)c2ccccc21
InChIInChI=1S/C66H52N4/c1-41-25-33-59-55(37-41)65(56-38-42(2)26-34-60(56)69(59)49-19-11-8-12-20-49)51-21-13-15-23-53(51)66(54-24-16-14-22-52(54)65)57-39-43(3)27-35-61(57)70(62-36-28-44(4)40-58(62)66)50-31-29-48(30-32-50)64-45(5)63(67-46(6)68-64)47-17-9-7-10-18-47/h7-40H,1-6H3
InChIKeyHEHYDHWGMJKORV-UHFFFAOYSA-N
XLogP16.31
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.17
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 160882613
CID 160882613
2-methyl-10-(4-methylphenyl)-9,9-diphenylacridine
CID 58029188
10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
CID 135226075
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
2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465104
10-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
CID 71007094
2-tert-butyl-9,9-bis(2-methylphenyl)-10-(4-phenylphenyl)acridine;1-methyl-4-phenylbenzene
CID 176670386
9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine
CID 129037640
CID 137451115
CID 137451115
10'-(4-dibenzothiophen-4-ylphenyl)-2-methyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 176670463
2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
CID 59399596
[4-(2-methyl-9,9-diphenyl-7-triphenylsilylacridin-10-yl)phenyl]-triphenylsilane
CID 59470047

Frequently Asked Questions

What is the IUPAC name of CID 137451222?
The IUPAC name of CID 137451222 (CID 137451222) is not available.
What is the SMILES notation for CID 137451222?
The canonical SMILES for CID 137451222 is Cc1ccc2c(c1)C1(c3cc(C)ccc3N2c2ccccc2)c2ccccc2C2(c3cc(C)ccc3N(c3ccc(-c4nc(C)nc(-c5ccccc5)c4C)cc3)c3ccc(C)cc32)c2ccccc21.
What is the InChIKey of CID 137451222?
The InChIKey is HEHYDHWGMJKORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H52N4/c1-41-25-33-59-55(37-41)65(56-38-42(2)26-34-60(56)69(59)49-19-11-8-12-20-49)51-21-13-15-23-53(51)66(54-24-16-14-22-52(54)65)57-39-43(3)27-35-61(57)70(62-36-28-44(4)40-58(62)66)50-31-29-48(30-32-50)64-45(5)63(67-46(6)68-64)47-17-9-7-10-18-47/h7-40H,1-6H3.
What are the key properties of CID 137451222?
CID 137451222 has a molecular weight of 901.17 g/mol, XLogP of 16.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 137451222 is sourced from PubChem (CID 137451222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).