2-(4-benzylphenyl)-2',4'-diphenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]

C48H32N2 — CID 129084913

IUPAC2-(4-benzylphenyl)-2',4'-diphenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]
SMILESc1ccc(Cc2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c(-c5ccccc5)nc(-c5ccccc5)nc43)cc2)cc1
InChIInChI=1S/C48H32N2/c1-4-14-32(15-5-1)30-33-24-26-34(27-25-33)37-28-29-39-38-20-10-12-22-41(38)48(43(39)31-37)42-23-13-11-21-40(42)44-45(35-16-6-2-7-17-35)49-47(50-46(44)48)36-18-8-3-9-19-36/h1-29,31H,30H2
InChIKeyVMFUMDKQSOQZLO-UHFFFAOYSA-N
MW636.80 g/mol
LogP11.41
Rot. Bonds5

About 2-(4-benzylphenyl)-2',4'-diphenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]

2-(4-benzylphenyl)-2',4'-diphenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine] (PubChem CID 129084913) has the molecular formula C48H32N2 and a molecular weight of 636.80 g/mol. Its IUPAC name is 2-(4-benzylphenyl)-2',4'-diphenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine].

Molecular Properties

Compound Name2-(4-benzylphenyl)-2',4'-diphenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]
PubChem CID129084913
Molecular FormulaC48H32N2
Molecular Weight636.80 g/mol
Exact Mass636.26
IUPAC Name2-(4-benzylphenyl)-2',4'-diphenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]
SMILESc1ccc(Cc2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c(-c5ccccc5)nc(-c5ccccc5)nc43)cc2)cc1
InChIInChI=1S/C48H32N2/c1-4-14-32(15-5-1)30-33-24-26-34(27-25-33)37-28-29-39-38-20-10-12-22-41(38)48(43(39)31-37)42-23-13-11-21-40(42)44-45(35-16-6-2-7-17-35)49-47(50-46(44)48)36-18-8-3-9-19-36/h1-29,31H,30H2
InChIKeyVMFUMDKQSOQZLO-UHFFFAOYSA-N
XLogP11.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.80
LogP ≤ 511.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4'-naphthalen-1-yl-7'-(4-naphthalen-2-ylphenyl)-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]
CID 118527726
4-(4'-naphthalen-1-yl-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]-2-yl)-N,N-diphenylbenzeneamine oxide
CID 129084864
2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 129150894
2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 118426846
4'-[4-(4-diphenylphosphorylphenyl)phenyl]-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine];4'-(4-naphthalen-2-ylphenyl)-2'-phenylspiro[fluorene-9,5'-indeno[1,2-d]pyrimidine];2'-phenyl-4'-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,5'-indeno[1,2-d]pyrimidine];2'-phenyl-4'-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]
CID 162175684
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 139521321
2,4-bis(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 161036393
2-[3-(3-phenylphenyl)phenyl]-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]-6-[3-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230309
2-[4-[3-(3-phenylphenyl)phenyl]phenyl]-4-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-6-[4-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230238
2-[3-(3-phenylphenyl)phenyl]-4-[4-(3-phenylphenyl)phenyl]-6-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230102
2-[4-(3-phenylphenyl)phenyl]-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]-6-[4-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230136
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine
CID 146778446

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylphenyl)-2',4'-diphenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]?
The IUPAC name of 2-(4-benzylphenyl)-2',4'-diphenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine] (CID 129084913) is 2-(4-benzylphenyl)-2',4'-diphenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine].
What is the SMILES notation for 2-(4-benzylphenyl)-2',4'-diphenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]?
The canonical SMILES for 2-(4-benzylphenyl)-2',4'-diphenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine] is c1ccc(Cc2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c(-c5ccccc5)nc(-c5ccccc5)nc43)cc2)cc1.
What is the InChIKey of 2-(4-benzylphenyl)-2',4'-diphenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]?
The InChIKey is VMFUMDKQSOQZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2/c1-4-14-32(15-5-1)30-33-24-26-34(27-25-33)37-28-29-39-38-20-10-12-22-41(38)48(43(39)31-37)42-23-13-11-21-40(42)44-45(35-16-6-2-7-17-35)49-47(50-46(44)48)36-18-8-3-9-19-36/h1-29,31H,30H2.
What are the key properties of 2-(4-benzylphenyl)-2',4'-diphenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]?
2-(4-benzylphenyl)-2',4'-diphenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine] has a molecular weight of 636.80 g/mol, XLogP of 11.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylphenyl)-2',4'-diphenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine] is sourced from PubChem (CID 129084913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).