CID 146184516

C66H42N2OS — CID 146184516

IUPAC—
SMILESC1=C(c2ccccc2-c2cccc3c2-c2ccccc2C32c3ccccc3C3(c4ccccc4Oc4ccccc43)c3ccccc32)NC(c2ccccc2)=NC1c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C66H42N2OS/c1-2-19-41(20-3-1)64-67-57(42-37-38-46-45-23-7-17-36-61(45)70-62(46)39-42)40-58(68-64)44-22-5-4-21-43(44)47-25-18-33-56-63(47)48-24-6-8-26-49(48)65(56)50-27-9-11-29-52(50)66(53-30-12-10-28-51(53)65)54-31-13-15-34-59(54)69-60-35-16-14-32-55(60)66/h1-40,57H,(H,67,68)
InChIKeyHMPHJZPDLWEFFM-UHFFFAOYSA-N
MW911.14 g/mol
LogP16.02
Rot. Bonds4

About CID 146184516

CID 146184516 (PubChem CID 146184516) has the molecular formula C66H42N2OS and a molecular weight of 911.14 g/mol.

Molecular Properties

Compound NameCID 146184516
PubChem CID146184516
Molecular FormulaC66H42N2OS
Molecular Weight911.14 g/mol
Exact Mass910.30
IUPAC Name—
SMILESC1=C(c2ccccc2-c2cccc3c2-c2ccccc2C32c3ccccc3C3(c4ccccc4Oc4ccccc43)c3ccccc32)NC(c2ccccc2)=NC1c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C66H42N2OS/c1-2-19-41(20-3-1)64-67-57(42-37-38-46-45-23-7-17-36-61(45)70-62(46)39-42)40-58(68-64)44-22-5-4-21-43(44)47-25-18-33-56-63(47)48-24-6-8-26-49(48)65(56)50-27-9-11-29-52(50)66(53-30-12-10-28-51(53)65)54-31-13-15-34-59(54)69-60-35-16-14-32-55(60)66/h1-40,57H,(H,67,68)
InChIKeyHMPHJZPDLWEFFM-UHFFFAOYSA-N
XLogP16.02
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.14
LogP ≤ 516.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-6-(2-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine
CID 148834800
2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine
CID 130379549
4,6-diphenyl-2-(3-spiro[benzo[g]fluorene-7,9'-xanthene]-9-ylphenyl)-1,4-dihydropyrimidine
CID 134304744
4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,4-dihydropyrimidine
CID 130378906
4,6-bis(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine
CID 137388370
4-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenyl-1,4-dihydropyrimidin-6-yl]benzonitrile
CID 142504438
2-phenyl-4-(2-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine
CID 137389231
4-(4-phenanthren-9-ylphenyl)-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine
CID 154931849
2-phenyl-6-(4-phenylphenyl)-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,4-dihydropyrimidine
CID 145110825
2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine
CID 166024927
4,6-diphenyl-2-(4-spiro[benzo[b]fluorene-11,9'-xanthene]-2-ylphenyl)-1,4-dihydropyrimidine
CID 134303848
4-dibenzothiophen-3-yl-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 137388531

Frequently Asked Questions

What is the IUPAC name of CID 146184516?
The IUPAC name of CID 146184516 (CID 146184516) is not available.
What is the SMILES notation for CID 146184516?
The canonical SMILES for CID 146184516 is C1=C(c2ccccc2-c2cccc3c2-c2ccccc2C32c3ccccc3C3(c4ccccc4Oc4ccccc43)c3ccccc32)NC(c2ccccc2)=NC1c1ccc2c(c1)sc1ccccc12.
What is the InChIKey of CID 146184516?
The InChIKey is HMPHJZPDLWEFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N2OS/c1-2-19-41(20-3-1)64-67-57(42-37-38-46-45-23-7-17-36-61(45)70-62(46)39-42)40-58(68-64)44-22-5-4-21-43(44)47-25-18-33-56-63(47)48-24-6-8-26-49(48)65(56)50-27-9-11-29-52(50)66(53-30-12-10-28-51(53)65)54-31-13-15-34-59(54)69-60-35-16-14-32-55(60)66/h1-40,57H,(H,67,68).
What are the key properties of CID 146184516?
CID 146184516 has a molecular weight of 911.14 g/mol, XLogP of 16.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146184516 is sourced from PubChem (CID 146184516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).