2-[4-methyl-3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-4,6-diphenylpyridine

C48H39N — CID 174327847

IUPAC2-[4-methyl-3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-4,6-diphenylpyridine
SMILESCc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccc(-c2ccc3c(c2)-c2ccccc2C32CCCCC2)cc1
InChIInChI=1S/C48H39N/c1-33-19-20-39(47-32-40(34-13-5-2-6-14-34)31-46(49-47)37-15-7-3-8-16-37)30-42(33)36-23-21-35(22-24-36)38-25-26-45-43(29-38)41-17-9-10-18-44(41)48(45)27-11-4-12-28-48/h2-3,5-10,13-26,29-32H,4,11-12,27-28H2,1H3
InChIKeyIQSCZMHRRVHVLG-UHFFFAOYSA-N
MW629.85 g/mol
LogP12.96
Rot. Bonds5

About 2-[4-methyl-3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-4,6-diphenylpyridine

2-[4-methyl-3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-4,6-diphenylpyridine (PubChem CID 174327847) has the molecular formula C48H39N and a molecular weight of 629.85 g/mol. Its IUPAC name is 2-[4-methyl-3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-4,6-diphenylpyridine.

Molecular Properties

Compound Name2-[4-methyl-3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-4,6-diphenylpyridine
PubChem CID174327847
Molecular FormulaC48H39N
Molecular Weight629.85 g/mol
Exact Mass629.31
IUPAC Name2-[4-methyl-3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-4,6-diphenylpyridine
SMILESCc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccc(-c2ccc3c(c2)-c2ccccc2C32CCCCC2)cc1
InChIInChI=1S/C48H39N/c1-33-19-20-39(47-32-40(34-13-5-2-6-14-34)31-46(49-47)37-15-7-3-8-16-37)30-42(33)36-23-21-35(22-24-36)38-25-26-45-43(29-38)41-17-9-10-18-44(41)48(45)27-11-4-12-28-48/h2-3,5-10,13-26,29-32H,4,11-12,27-28H2,1H3
InChIKeyIQSCZMHRRVHVLG-UHFFFAOYSA-N
XLogP12.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.85
LogP ≤ 512.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(2-methyl-5-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 174327618
4,6-diphenyl-2-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]pyrimidine
CID 146352227
2-phenyl-4-(4-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]pyrimidine
CID 159087005
2'-phenylspiro[cyclohexane-1,9'-fluorene]
CID 123183554
3'-(4-methylphenyl)spiro[cyclopentane-1,9'-fluorene]
CID 58389877
4,6-diphenyl-2-(2-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)pyrimidine
CID 161402725
2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159202142
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
2-[4-[4-(6',6'-dimethylspiro[cyclohexane-1,12'-indeno[1,2-b]fluorene]-3'-yl)phenyl]phenyl]-3,5,6-triphenylpyrazine
CID 166902522
2-phenyl-4-(4-phenylphenyl)-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 146352321
2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine
CID 158061276
2-phenyl-4-(3-phenylphenyl)-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 162137850

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-4,6-diphenylpyridine?
The IUPAC name of 2-[4-methyl-3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-4,6-diphenylpyridine (CID 174327847) is 2-[4-methyl-3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-4,6-diphenylpyridine.
What is the SMILES notation for 2-[4-methyl-3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-4,6-diphenylpyridine?
The canonical SMILES for 2-[4-methyl-3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-4,6-diphenylpyridine is Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1ccc(-c2ccc3c(c2)-c2ccccc2C32CCCCC2)cc1.
What is the InChIKey of 2-[4-methyl-3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-4,6-diphenylpyridine?
The InChIKey is IQSCZMHRRVHVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H39N/c1-33-19-20-39(47-32-40(34-13-5-2-6-14-34)31-46(49-47)37-15-7-3-8-16-37)30-42(33)36-23-21-35(22-24-36)38-25-26-45-43(29-38)41-17-9-10-18-44(41)48(45)27-11-4-12-28-48/h2-3,5-10,13-26,29-32H,4,11-12,27-28H2,1H3.
What are the key properties of 2-[4-methyl-3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-4,6-diphenylpyridine?
2-[4-methyl-3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-4,6-diphenylpyridine has a molecular weight of 629.85 g/mol, XLogP of 12.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-4,6-diphenylpyridine is sourced from PubChem (CID 174327847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).