2'-(4-phenylnaphthalen-1-yl)-2-pyridin-2-ylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]

C44H27N3 — CID 129264496

IUPAC2'-(4-phenylnaphthalen-1-yl)-2-pyridin-2-ylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]
SMILESc1ccc(-c2ccc(-c3ncc4c(n3)C3(c5ccccc5-c5ccc(-c6ccccn6)cc53)c3ccccc3-4)c3ccccc23)cc1
InChIInChI=1S/C44H27N3/c1-2-12-28(13-3-1)30-23-24-36(32-15-5-4-14-31(30)32)43-46-27-37-34-17-7-9-19-39(34)44(42(37)47-43)38-18-8-6-16-33(38)35-22-21-29(26-40(35)44)41-20-10-11-25-45-41/h1-27H
InChIKeyBRGFVUFDEDGRQH-UHFFFAOYSA-N
MW597.72 g/mol
LogP10.37
Rot. Bonds3

About 2'-(4-phenylnaphthalen-1-yl)-2-pyridin-2-ylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]

2'-(4-phenylnaphthalen-1-yl)-2-pyridin-2-ylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine] (PubChem CID 129264496) has the molecular formula C44H27N3 and a molecular weight of 597.72 g/mol. Its IUPAC name is 2'-(4-phenylnaphthalen-1-yl)-2-pyridin-2-ylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine].

Molecular Properties

Compound Name2'-(4-phenylnaphthalen-1-yl)-2-pyridin-2-ylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]
PubChem CID129264496
Molecular FormulaC44H27N3
Molecular Weight597.72 g/mol
Exact Mass597.22
IUPAC Name2'-(4-phenylnaphthalen-1-yl)-2-pyridin-2-ylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]
SMILESc1ccc(-c2ccc(-c3ncc4c(n3)C3(c5ccccc5-c5ccc(-c6ccccn6)cc53)c3ccccc3-4)c3ccccc23)cc1
InChIInChI=1S/C44H27N3/c1-2-12-28(13-3-1)30-23-24-36(32-15-5-4-14-31(30)32)43-46-27-37-34-17-7-9-19-39(34)44(42(37)47-43)38-18-8-6-16-33(38)35-22-21-29(26-40(35)44)41-20-10-11-25-45-41/h1-27H
InChIKeyBRGFVUFDEDGRQH-UHFFFAOYSA-N
XLogP10.37
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.72
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenylphenyl)-4-(4-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 146631999
4-phenyl-2-(3-pyridin-2-ylphenyl)-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine
CID 167177109
2-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129264966
2-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylphenyl)pyridine
CID 155460562
2-naphthalen-1-yl-4-(9,9'-spirobi[fluorene]-2-yl)-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine;2-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)-4,6-dipyridin-2-yl-1,3,5-triazine;2-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine;2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 158877636
2,6-dipyridin-2-yl-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine
CID 166685118
2-(4-methylphenyl)-4-(4-pyridin-2-ylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 130261417
4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-pyridin-2-ylphenyl)pyrimidine
CID 171603571
2-[9,10-bis(9,9-diphenylfluoren-2-yl)anthracen-2-yl]-5-pyridin-2-ylpyridine
CID 90361787
2-[3-(2',7'-dibromo-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine
CID 66807387
2,4-diphenyl-6-(7-pyridin-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-1,3,5-triazine
CID 146549517
4-phenyl-2-pyridin-2-yl-6-[7-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]quinoline
CID 135132558

Frequently Asked Questions

What is the IUPAC name of 2'-(4-phenylnaphthalen-1-yl)-2-pyridin-2-ylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]?
The IUPAC name of 2'-(4-phenylnaphthalen-1-yl)-2-pyridin-2-ylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine] (CID 129264496) is 2'-(4-phenylnaphthalen-1-yl)-2-pyridin-2-ylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine].
What is the SMILES notation for 2'-(4-phenylnaphthalen-1-yl)-2-pyridin-2-ylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]?
The canonical SMILES for 2'-(4-phenylnaphthalen-1-yl)-2-pyridin-2-ylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine] is c1ccc(-c2ccc(-c3ncc4c(n3)C3(c5ccccc5-c5ccc(-c6ccccn6)cc53)c3ccccc3-4)c3ccccc23)cc1.
What is the InChIKey of 2'-(4-phenylnaphthalen-1-yl)-2-pyridin-2-ylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]?
The InChIKey is BRGFVUFDEDGRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N3/c1-2-12-28(13-3-1)30-23-24-36(32-15-5-4-14-31(30)32)43-46-27-37-34-17-7-9-19-39(34)44(42(37)47-43)38-18-8-6-16-33(38)35-22-21-29(26-40(35)44)41-20-10-11-25-45-41/h1-27H.
What are the key properties of 2'-(4-phenylnaphthalen-1-yl)-2-pyridin-2-ylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]?
2'-(4-phenylnaphthalen-1-yl)-2-pyridin-2-ylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine] has a molecular weight of 597.72 g/mol, XLogP of 10.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(4-phenylnaphthalen-1-yl)-2-pyridin-2-ylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine] is sourced from PubChem (CID 129264496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).