CID 146536817

C62H45N — CID 146536817

IUPAC—
SMILESCC1C=CC2=C(C1c1cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)c1)C1(c3ccccc3-c3ccccc31)c1ccccc1C21C2=C(C=CCC2)c2ccccc21
InChIInChI=1S/C62H45N/c1-40-35-36-56-60(59(40)44-24-18-23-43(37-44)58-39-45(41-19-4-2-5-20-41)38-57(63-58)42-21-6-3-7-22-42)62(52-31-14-10-27-48(52)49-28-11-15-32-53(49)62)55-34-17-16-33-54(55)61(56)50-29-12-8-25-46(50)47-26-9-13-30-51(47)61/h2-12,14-29,31-40,59H,13,30H2,1H3
InChIKeyRZFMKPMSCZFUSJ-UHFFFAOYSA-N
MW804.05 g/mol
LogP15.10
Rot. Bonds4

About CID 146536817

CID 146536817 (PubChem CID 146536817) has the molecular formula C62H45N and a molecular weight of 804.05 g/mol.

Molecular Properties

Compound NameCID 146536817
PubChem CID146536817
Molecular FormulaC62H45N
Molecular Weight804.05 g/mol
Exact Mass803.36
IUPAC Name—
SMILESCC1C=CC2=C(C1c1cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)c1)C1(c3ccccc3-c3ccccc31)c1ccccc1C21C2=C(C=CCC2)c2ccccc21
InChIInChI=1S/C62H45N/c1-40-35-36-56-60(59(40)44-24-18-23-43(37-44)58-39-45(41-19-4-2-5-20-41)38-57(63-58)42-21-6-3-7-22-42)62(52-31-14-10-27-48(52)49-28-11-15-32-53(49)62)55-34-17-16-33-54(55)61(56)50-29-12-8-25-46(50)47-26-9-13-30-51(47)61/h2-12,14-29,31-40,59H,13,30H2,1H3
InChIKeyRZFMKPMSCZFUSJ-UHFFFAOYSA-N
XLogP15.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.05
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 145229229
CID 145229229
2,6-diphenyl-4-[3-(2-phenyl-4-spiro[1,2-dihydrofluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]pyridine
CID 174328025
2,4-diphenyl-6-(3-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389233
2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,4-diphenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine;2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine
CID 161308623
2-phenyl-3-(7'-pyridin-4-ylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)quinoxaline
CID 163579355
7-phenyl-9-[3-(3-phenylphenyl)phenyl]-9-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-1,2-dihydrofluorene
CID 145189166
2-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)naphthalen-1-yl]phenyl]-4,6-diphenylpyridine
CID 153302578
2,6-diphenyl-4-[3-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyridine
CID 134272055
N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 166861507
2,6-diphenyl-4-(9-spiro[cyclohexane-1,9'-fluorene]-2'-yl-10-spiro[7,8-dihydrofluorene-9,1'-cyclohexane]-2-ylanthracen-2-yl)pyridine
CID 88589723
2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine
CID 161235712
CID 146661210
CID 146661210

Frequently Asked Questions

What is the IUPAC name of CID 146536817?
The IUPAC name of CID 146536817 (CID 146536817) is not available.
What is the SMILES notation for CID 146536817?
The canonical SMILES for CID 146536817 is CC1C=CC2=C(C1c1cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)c1)C1(c3ccccc3-c3ccccc31)c1ccccc1C21C2=C(C=CCC2)c2ccccc21.
What is the InChIKey of CID 146536817?
The InChIKey is RZFMKPMSCZFUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H45N/c1-40-35-36-56-60(59(40)44-24-18-23-43(37-44)58-39-45(41-19-4-2-5-20-41)38-57(63-58)42-21-6-3-7-22-42)62(52-31-14-10-27-48(52)49-28-11-15-32-53(49)62)55-34-17-16-33-54(55)61(56)50-29-12-8-25-46(50)47-26-9-13-30-51(47)61/h2-12,14-29,31-40,59H,13,30H2,1H3.
What are the key properties of CID 146536817?
CID 146536817 has a molecular weight of 804.05 g/mol, XLogP of 15.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146536817 is sourced from PubChem (CID 146536817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).