4'-naphthalen-1-yl-2'-(4-naphthalen-2-ylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-indeno[2,1-d]pyrimidine]

C49H32N2 — CID 129084757

IUPAC4'-naphthalen-1-yl-2'-(4-naphthalen-2-ylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-indeno[2,1-d]pyrimidine]
SMILESC1=CC2c3ccccc3C3(c4ccccc4-c4c(-c5cccc6ccccc56)nc(-c5ccc(-c6ccc7ccccc7c6)cc5)nc43)C2C=C1
InChIInChI=1S/C49H32N2/c1-2-14-35-30-36(29-26-31(35)12-1)32-24-27-34(28-25-32)48-50-46(40-20-11-15-33-13-3-4-16-37(33)40)45-41-19-7-10-23-44(41)49(47(45)51-48)42-21-8-5-17-38(42)39-18-6-9-22-43(39)49/h1-30,38,42H
InChIKeyZKAKUAVQAVSEOZ-UHFFFAOYSA-N
MW648.81 g/mol
LogP11.94
Rot. Bonds3

About 4'-naphthalen-1-yl-2'-(4-naphthalen-2-ylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-indeno[2,1-d]pyrimidine]

4'-naphthalen-1-yl-2'-(4-naphthalen-2-ylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-indeno[2,1-d]pyrimidine] (PubChem CID 129084757) has the molecular formula C49H32N2 and a molecular weight of 648.81 g/mol. Its IUPAC name is 4'-naphthalen-1-yl-2'-(4-naphthalen-2-ylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-indeno[2,1-d]pyrimidine].

Molecular Properties

Compound Name4'-naphthalen-1-yl-2'-(4-naphthalen-2-ylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-indeno[2,1-d]pyrimidine]
PubChem CID129084757
Molecular FormulaC49H32N2
Molecular Weight648.81 g/mol
Exact Mass648.26
IUPAC Name4'-naphthalen-1-yl-2'-(4-naphthalen-2-ylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-indeno[2,1-d]pyrimidine]
SMILESC1=CC2c3ccccc3C3(c4ccccc4-c4c(-c5cccc6ccccc56)nc(-c5ccc(-c6ccc7ccccc7c6)cc5)nc43)C2C=C1
InChIInChI=1S/C49H32N2/c1-2-14-35-30-36(29-26-31(35)12-1)32-24-27-34(28-25-32)48-50-46(40-20-11-15-33-13-3-4-16-37(33)40)45-41-19-7-10-23-44(41)49(47(45)51-48)42-21-8-5-17-38(42)39-18-6-9-22-43(39)49/h1-30,38,42H
InChIKeyZKAKUAVQAVSEOZ-UHFFFAOYSA-N
XLogP11.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1'-methyl-4-naphthalen-1-yl-2-(4-naphthalen-2-ylphenyl)spiro[indeno[2,1-d]pyrimidine-9,8'-tricyclo[7.4.1.02,7]tetradeca-2,4,6,10,12-pentaene]
CID 129084758
4'-naphthalen-1-yl-7'-(4-naphthalen-2-ylphenyl)-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]
CID 118527726
4-phenanthren-2-yl-6-phenyl-2-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 155442773
4-phenanthren-2-yl-6-phenyl-2-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 155443455
2-phenanthren-2-yl-4-phenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 155442762
4-naphthalen-2-yl-6-phenyl-2-[4-[3-[4-(6-phenyl-2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]pyrimidine
CID 155443305
2,4-diphenyl-6-(7-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yldibenzofuran-3-yl)-1,3,5-triazine
CID 166953099
2-naphthalen-1-yl-4,6-bis(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 167133977
2,4-dipyridin-2-yl-6-spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-2-yl-1,3,5-triazine
CID 123333479
2-dibenzofuran-3-yl-4-phenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine
CID 155442926
4,6-diphenyl-2-[4-(2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 155442583
4-(4'-naphthalen-1-yl-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]-2-yl)-N,N-diphenylbenzeneamine oxide
CID 129084864

Frequently Asked Questions

What is the IUPAC name of 4'-naphthalen-1-yl-2'-(4-naphthalen-2-ylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-indeno[2,1-d]pyrimidine]?
The IUPAC name of 4'-naphthalen-1-yl-2'-(4-naphthalen-2-ylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-indeno[2,1-d]pyrimidine] (CID 129084757) is 4'-naphthalen-1-yl-2'-(4-naphthalen-2-ylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-indeno[2,1-d]pyrimidine].
What is the SMILES notation for 4'-naphthalen-1-yl-2'-(4-naphthalen-2-ylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-indeno[2,1-d]pyrimidine]?
The canonical SMILES for 4'-naphthalen-1-yl-2'-(4-naphthalen-2-ylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-indeno[2,1-d]pyrimidine] is C1=CC2c3ccccc3C3(c4ccccc4-c4c(-c5cccc6ccccc56)nc(-c5ccc(-c6ccc7ccccc7c6)cc5)nc43)C2C=C1.
What is the InChIKey of 4'-naphthalen-1-yl-2'-(4-naphthalen-2-ylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-indeno[2,1-d]pyrimidine]?
The InChIKey is ZKAKUAVQAVSEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2/c1-2-14-35-30-36(29-26-31(35)12-1)32-24-27-34(28-25-32)48-50-46(40-20-11-15-33-13-3-4-16-37(33)40)45-41-19-7-10-23-44(41)49(47(45)51-48)42-21-8-5-17-38(42)39-18-6-9-22-43(39)49/h1-30,38,42H.
What are the key properties of 4'-naphthalen-1-yl-2'-(4-naphthalen-2-ylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-indeno[2,1-d]pyrimidine]?
4'-naphthalen-1-yl-2'-(4-naphthalen-2-ylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-indeno[2,1-d]pyrimidine] has a molecular weight of 648.81 g/mol, XLogP of 11.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-naphthalen-1-yl-2'-(4-naphthalen-2-ylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-indeno[2,1-d]pyrimidine] is sourced from PubChem (CID 129084757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).