4'-naphthalen-1-yl-7'-(4-naphthalen-2-ylphenyl)-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]

C55H34N2 — CID 118527726

IUPAC4'-naphthalen-1-yl-7'-(4-naphthalen-2-ylphenyl)-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]
SMILESc1ccc(-c2nc(-c3cccc4ccccc34)c3c(n2)C2(c4ccccc4-c4ccccc42)c2cc(-c4ccc(-c5ccc6ccccc6c5)cc4)ccc2-3)cc1
InChIInChI=1S/C55H34N2/c1-2-15-39(16-3-1)54-56-52(46-22-12-18-38-14-6-7-19-43(38)46)51-47-32-31-42(37-27-25-36(26-28-37)41-30-29-35-13-4-5-17-40(35)33-41)34-50(47)55(53(51)57-54)48-23-10-8-20-44(48)45-21-9-11-24-49(45)55/h1-34H
InChIKeyJDPCAGWZULATTG-UHFFFAOYSA-N
MW722.89 g/mol
LogP13.79
Rot. Bonds4

About 4'-naphthalen-1-yl-7'-(4-naphthalen-2-ylphenyl)-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]

4'-naphthalen-1-yl-7'-(4-naphthalen-2-ylphenyl)-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine] (PubChem CID 118527726) has the molecular formula C55H34N2 and a molecular weight of 722.89 g/mol. Its IUPAC name is 4'-naphthalen-1-yl-7'-(4-naphthalen-2-ylphenyl)-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine].

Molecular Properties

Compound Name4'-naphthalen-1-yl-7'-(4-naphthalen-2-ylphenyl)-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]
PubChem CID118527726
Molecular FormulaC55H34N2
Molecular Weight722.89 g/mol
Exact Mass722.27
IUPAC Name4'-naphthalen-1-yl-7'-(4-naphthalen-2-ylphenyl)-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]
SMILESc1ccc(-c2nc(-c3cccc4ccccc34)c3c(n2)C2(c4ccccc4-c4ccccc42)c2cc(-c4ccc(-c5ccc6ccccc6c5)cc4)ccc2-3)cc1
InChIInChI=1S/C55H34N2/c1-2-15-39(16-3-1)54-56-52(46-22-12-18-38-14-6-7-19-43(38)46)51-47-32-31-42(37-27-25-36(26-28-37)41-30-29-35-13-4-5-17-40(35)33-41)34-50(47)55(53(51)57-54)48-23-10-8-20-44(48)45-21-9-11-24-49(45)55/h1-34H
InChIKeyJDPCAGWZULATTG-UHFFFAOYSA-N
XLogP13.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.89
LogP ≤ 513.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4'-naphthalen-1-yl-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]-2-yl)-N,N-diphenylbenzeneamine oxide
CID 129084864
2-carbazol-9-yl-4'-naphthalen-1-yl-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]
CID 122551760
2-(4-benzylphenyl)-2',4'-diphenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]
CID 129084913
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-[3-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-ylphenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 171592300
2-(9,9-diphenylfluoren-2-yl)-4-(2-naphthalen-1-ylphenyl)-6-[3-(4-naphthalen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 171439388
2-naphthalen-2-yl-4-phenyl-6-[3-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 171592063
2-naphthalen-1-yl-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 146648554
2,4-bis(3-phenylphenyl)-6-spiro[benzo[c]fluorene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
CID 134574249
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-6'-phenylspiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 168855233
2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine
CID 153357769
4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,5'-indeno[1,2-d]pyrimidine];4'-naphthalen-1-yl-2'-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine];4'-naphthalen-1-yl-2'-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-indeno[2,1-d]pyrimidine]
CID 159294131

Frequently Asked Questions

What is the IUPAC name of 4'-naphthalen-1-yl-7'-(4-naphthalen-2-ylphenyl)-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]?
The IUPAC name of 4'-naphthalen-1-yl-7'-(4-naphthalen-2-ylphenyl)-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine] (CID 118527726) is 4'-naphthalen-1-yl-7'-(4-naphthalen-2-ylphenyl)-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine].
What is the SMILES notation for 4'-naphthalen-1-yl-7'-(4-naphthalen-2-ylphenyl)-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]?
The canonical SMILES for 4'-naphthalen-1-yl-7'-(4-naphthalen-2-ylphenyl)-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine] is c1ccc(-c2nc(-c3cccc4ccccc34)c3c(n2)C2(c4ccccc4-c4ccccc42)c2cc(-c4ccc(-c5ccc6ccccc6c5)cc4)ccc2-3)cc1.
What is the InChIKey of 4'-naphthalen-1-yl-7'-(4-naphthalen-2-ylphenyl)-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]?
The InChIKey is JDPCAGWZULATTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2/c1-2-15-39(16-3-1)54-56-52(46-22-12-18-38-14-6-7-19-43(38)46)51-47-32-31-42(37-27-25-36(26-28-37)41-30-29-35-13-4-5-17-40(35)33-41)34-50(47)55(53(51)57-54)48-23-10-8-20-44(48)45-21-9-11-24-49(45)55/h1-34H.
What are the key properties of 4'-naphthalen-1-yl-7'-(4-naphthalen-2-ylphenyl)-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine]?
4'-naphthalen-1-yl-7'-(4-naphthalen-2-ylphenyl)-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine] has a molecular weight of 722.89 g/mol, XLogP of 13.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-naphthalen-1-yl-7'-(4-naphthalen-2-ylphenyl)-2'-phenylspiro[fluorene-9,9'-indeno[2,1-d]pyrimidine] is sourced from PubChem (CID 118527726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).