2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene]-4-ylpyrimidine

C55H34N2 — CID 155186211

IUPAC2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene]-4-ylpyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc5c4-c4ccccc4C54c5cc6ccccc6cc5-c5ccc6ccccc6c54)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C55H34N2/c1-3-15-35(16-4-1)38-22-13-23-41(31-38)50-34-51(57-54(56-50)37-18-5-2-6-19-37)45-26-14-28-48-52(45)44-25-11-12-27-47(44)55(48)49-33-40-21-8-7-20-39(40)32-46(49)43-30-29-36-17-9-10-24-42(36)53(43)55/h1-34H
InChIKeyYDJKKJMRARNFRO-UHFFFAOYSA-N
MW722.89 g/mol
LogP13.79
Rot. Bonds4

About 2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene]-4-ylpyrimidine

2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene]-4-ylpyrimidine (PubChem CID 155186211) has the molecular formula C55H34N2 and a molecular weight of 722.89 g/mol. Its IUPAC name is 2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene]-4-ylpyrimidine.

Molecular Properties

Compound Name2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene]-4-ylpyrimidine
PubChem CID155186211
Molecular FormulaC55H34N2
Molecular Weight722.89 g/mol
Exact Mass722.27
IUPAC Name2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene]-4-ylpyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc5c4-c4ccccc4C54c5cc6ccccc6cc5-c5ccc6ccccc6c54)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C55H34N2/c1-3-15-35(16-4-1)38-22-13-23-41(31-38)50-34-51(57-54(56-50)37-18-5-2-6-19-37)45-26-14-28-48-52(45)44-25-11-12-27-47(44)55(48)49-33-40-21-8-7-20-39(40)32-46(49)43-30-29-36-17-9-10-24-42(36)53(43)55/h1-34H
InChIKeyYDJKKJMRARNFRO-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

Analyze 2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene]-4-ylpyrimidine with MolForge

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Related Compounds

2,4-diphenyl-6-[4-[17'-[3-(6-phenyl-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7'-ylpyrimidin-4-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-7'-yl]phenyl]pyrimidine
CID 137492982
2,4-diphenyl-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-2-yl-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-3-yl-1,3,5-triazine;4-(3-phenylphenyl)-6-(4-phenylphenyl)-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-4-ylpyrimidine
CID 160636998
4,6-diphenyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylpyrimidine
CID 155186274
4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylphenyl)pyrimidine
CID 137494809
2,4-diphenyl-6-[4-[6'-[3-(6-phenyl-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-17'-ylpyrimidin-4-yl)phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14(19),15,17,20-decaene]-17'-yl]phenyl]pyrimidine
CID 137493411
2,4-diphenyl-6-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)-1,3,5-triazine
CID 137494788
4-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-6-(3-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 168779837
2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene]-4-yl-1,3,5-triazine
CID 155186323
4,6-bis(3-phenylphenyl)-2-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylpyrimidine
CID 165152179
2-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)-6-(3-triphenylen-2-ylphenyl)pyrimidine
CID 142356680
4-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenyl-6-[6-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]pyrimidine
CID 176793263
4-(11,11-diphenylbenzo[a]fluoren-6-yl)-2,6-bis(3-phenylphenyl)pyrimidine
CID 165152062

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene]-4-ylpyrimidine?
The IUPAC name of 2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene]-4-ylpyrimidine (CID 155186211) is 2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene]-4-ylpyrimidine.
What is the SMILES notation for 2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene]-4-ylpyrimidine?
The canonical SMILES for 2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene]-4-ylpyrimidine is c1ccc(-c2cccc(-c3cc(-c4cccc5c4-c4ccccc4C54c5cc6ccccc6cc5-c5ccc6ccccc6c54)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene]-4-ylpyrimidine?
The InChIKey is YDJKKJMRARNFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2/c1-3-15-35(16-4-1)38-22-13-23-41(31-38)50-34-51(57-54(56-50)37-18-5-2-6-19-37)45-26-14-28-48-52(45)44-25-11-12-27-47(44)55(48)49-33-40-21-8-7-20-39(40)32-46(49)43-30-29-36-17-9-10-24-42(36)53(43)55/h1-34H.
What are the key properties of 2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene]-4-ylpyrimidine?
2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene]-4-ylpyrimidine 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 2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene]-4-ylpyrimidine is sourced from PubChem (CID 155186211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).