2'-phenyl-2-(4-phenylphenyl)spiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]

C41H26N2 — CID 118527765

IUPAC2'-phenyl-2-(4-phenylphenyl)spiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cnc(-c5ccccc5)nc43)cc2)cc1
InChIInChI=1S/C41H26N2/c1-3-11-27(12-4-1)28-19-21-29(22-20-28)31-23-24-34-32-15-7-9-17-36(32)41(38(34)25-31)37-18-10-8-16-33(37)35-26-42-40(43-39(35)41)30-13-5-2-6-14-30/h1-26H
InChIKeyOGORHAPGYDZRSR-UHFFFAOYSA-N
MW546.67 g/mol
LogP9.82
Rot. Bonds3

About 2'-phenyl-2-(4-phenylphenyl)spiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]

2'-phenyl-2-(4-phenylphenyl)spiro[fluorene-9,9'-indeno[2,1-d]pyrimidine] (PubChem CID 118527765) has the molecular formula C41H26N2 and a molecular weight of 546.67 g/mol. Its IUPAC name is 2'-phenyl-2-(4-phenylphenyl)spiro[fluorene-9,9'-indeno[2,1-d]pyrimidine].

Molecular Properties

Compound Name2'-phenyl-2-(4-phenylphenyl)spiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]
PubChem CID118527765
Molecular FormulaC41H26N2
Molecular Weight546.67 g/mol
Exact Mass546.21
IUPAC Name2'-phenyl-2-(4-phenylphenyl)spiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cnc(-c5ccccc5)nc43)cc2)cc1
InChIInChI=1S/C41H26N2/c1-3-11-27(12-4-1)28-19-21-29(22-20-28)31-23-24-34-32-15-7-9-17-36(32)41(38(34)25-31)37-18-10-8-16-33(37)35-26-42-40(43-39(35)41)30-13-5-2-6-14-30/h1-26H
InChIKeyOGORHAPGYDZRSR-UHFFFAOYSA-N
XLogP9.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.67
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2'-phenyl-2-(4-phenylphenyl)spiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]?
The IUPAC name of 2'-phenyl-2-(4-phenylphenyl)spiro[fluorene-9,9'-indeno[2,1-d]pyrimidine] (CID 118527765) is 2'-phenyl-2-(4-phenylphenyl)spiro[fluorene-9,9'-indeno[2,1-d]pyrimidine].
What is the SMILES notation for 2'-phenyl-2-(4-phenylphenyl)spiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]?
The canonical SMILES for 2'-phenyl-2-(4-phenylphenyl)spiro[fluorene-9,9'-indeno[2,1-d]pyrimidine] is c1ccc(-c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cnc(-c5ccccc5)nc43)cc2)cc1.
What is the InChIKey of 2'-phenyl-2-(4-phenylphenyl)spiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]?
The InChIKey is OGORHAPGYDZRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2/c1-3-11-27(12-4-1)28-19-21-29(22-20-28)31-23-24-34-32-15-7-9-17-36(32)41(38(34)25-31)37-18-10-8-16-33(37)35-26-42-40(43-39(35)41)30-13-5-2-6-14-30/h1-26H.
What are the key properties of 2'-phenyl-2-(4-phenylphenyl)spiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]?
2'-phenyl-2-(4-phenylphenyl)spiro[fluorene-9,9'-indeno[2,1-d]pyrimidine] has a molecular weight of 546.67 g/mol, XLogP of 9.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-phenyl-2-(4-phenylphenyl)spiro[fluorene-9,9'-indeno[2,1-d]pyrimidine] is sourced from PubChem (CID 118527765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).