2,4-dinaphthalen-2-yl-6-spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl-1,3,5-triazine

C52H31N3 — CID 58233397

IUPAC2,4-dinaphthalen-2-yl-6-spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl-1,3,5-triazine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1cc(-c1nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n1)c1ccccc21
InChIInChI=1S/C52H31N3/c1-3-15-34-29-36(27-25-32(34)13-1)49-53-50(37-28-26-33-14-2-4-16-35(33)30-37)55-51(54-49)43-31-47-48(41-20-6-5-17-38(41)43)42-21-9-12-24-46(42)52(47)44-22-10-7-18-39(44)40-19-8-11-23-45(40)52/h1-31H
InChIKeyJJHIYCNGZUHNSB-UHFFFAOYSA-N
MW697.84 g/mol
LogP12.68
Rot. Bonds3

About 2,4-dinaphthalen-2-yl-6-spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl-1,3,5-triazine

2,4-dinaphthalen-2-yl-6-spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl-1,3,5-triazine (PubChem CID 58233397) has the molecular formula C52H31N3 and a molecular weight of 697.84 g/mol. Its IUPAC name is 2,4-dinaphthalen-2-yl-6-spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dinaphthalen-2-yl-6-spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl-1,3,5-triazine
PubChem CID58233397
Molecular FormulaC52H31N3
Molecular Weight697.84 g/mol
Exact Mass697.25
IUPAC Name2,4-dinaphthalen-2-yl-6-spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl-1,3,5-triazine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1cc(-c1nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n1)c1ccccc21
InChIInChI=1S/C52H31N3/c1-3-15-34-29-36(27-25-32(34)13-1)49-53-50(37-28-26-33-14-2-4-16-35(33)30-37)55-51(54-49)43-31-47-48(41-20-6-5-17-38(41)43)42-21-9-12-24-46(42)52(47)44-22-10-7-18-39(44)40-19-8-11-23-45(40)52/h1-31H
InChIKeyJJHIYCNGZUHNSB-UHFFFAOYSA-N
XLogP12.68
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.84
LogP ≤ 512.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-dinaphthalen-2-yl-6-spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl-1,3,5-triazine with MolForge

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Related Compounds

2-(11,11-diphenylbenzo[b]fluoren-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 146261780
2-naphthalen-2-yl-4-phenanthren-9-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 165003642
2,4-dinaphthalen-1-yl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2-yl-1,3,5-triazine
CID 134528161
9'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]
CID 140962359
2,4-dinaphthalen-2-yl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]-1,3,5-triazine
CID 167359528
2-(3,5-diphenylphenyl)-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine;2-(3-naphthalen-2-ylphenyl)-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 159713077
5-(10-naphthalen-2-ylanthracen-9-yl)-7,7-diphenylbenzo[c]fluorene
CID 166034549
2,4-dinaphthalen-1-yl-6-[6-(9,9'-spirobi[fluorene]-1'-yl)naphthalen-2-yl]-1,3,5-triazine
CID 146648292
2,4-dinaphthalen-2-yl-6-(9,9'-spirobi[fluorene]-4'-yl)pyrimidine
CID 142356274
7'-(10-naphthalen-2-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]
CID 140962634
5-(4-naphthalen-1-ylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]
CID 101471754
2-chloro-4-naphthalen-2-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 177297066

Frequently Asked Questions

What is the IUPAC name of 2,4-dinaphthalen-2-yl-6-spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl-1,3,5-triazine?
The IUPAC name of 2,4-dinaphthalen-2-yl-6-spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl-1,3,5-triazine (CID 58233397) is 2,4-dinaphthalen-2-yl-6-spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl-1,3,5-triazine.
What is the SMILES notation for 2,4-dinaphthalen-2-yl-6-spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl-1,3,5-triazine?
The canonical SMILES for 2,4-dinaphthalen-2-yl-6-spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl-1,3,5-triazine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1cc(-c1nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n1)c1ccccc21.
What is the InChIKey of 2,4-dinaphthalen-2-yl-6-spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl-1,3,5-triazine?
The InChIKey is JJHIYCNGZUHNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N3/c1-3-15-34-29-36(27-25-32(34)13-1)49-53-50(37-28-26-33-14-2-4-16-35(33)30-37)55-51(54-49)43-31-47-48(41-20-6-5-17-38(41)43)42-21-9-12-24-46(42)52(47)44-22-10-7-18-39(44)40-19-8-11-23-45(40)52/h1-31H.
What are the key properties of 2,4-dinaphthalen-2-yl-6-spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl-1,3,5-triazine?
2,4-dinaphthalen-2-yl-6-spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl-1,3,5-triazine has a molecular weight of 697.84 g/mol, XLogP of 12.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinaphthalen-2-yl-6-spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl-1,3,5-triazine is sourced from PubChem (CID 58233397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).