4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-[11-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine

C102H66N4 — CID 165151266

IUPAC4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-[11-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)cc(-c6cccc(-c7cccc8c7-c7ccccc7C8(c7ccccc7)c7ccccc7)c6)n5)ccc43)n2)cc1
InChIInChI=1S/C102H66N4/c1-7-29-65(30-8-1)91-63-93(69-35-25-33-67(59-69)77-49-27-53-89-97(77)83-47-21-23-51-87(83)101(89,73-37-11-3-12-38-73)74-39-13-4-14-40-74)105-99(103-91)71-55-57-81-85(61-71)95-79-45-19-20-46-80(79)96(81)86-62-72(56-58-82(86)95)100-104-92(66-31-9-2-10-32-66)64-94(106-100)70-36-26-34-68(60-70)78-50-28-54-90-98(78)84-48-22-24-52-88(84)102(90,75-41-15-5-16-42-75)76-43-17-6-18-44-76/h1-64,95-96H
InChIKeyYSVQEFBZVWSXKR-UHFFFAOYSA-N
MW1347.68 g/mol
LogP24.32
Rot. Bonds12

About 4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-[11-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine

4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-[11-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine (PubChem CID 165151266) has the molecular formula C102H66N4 and a molecular weight of 1347.68 g/mol. Its IUPAC name is 4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-[11-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine.

Molecular Properties

Compound Name4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-[11-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine
PubChem CID165151266
Molecular FormulaC102H66N4
Molecular Weight1347.68 g/mol
Exact Mass1346.53
IUPAC Name4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-[11-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)cc(-c6cccc(-c7cccc8c7-c7ccccc7C8(c7ccccc7)c7ccccc7)c6)n5)ccc43)n2)cc1
InChIInChI=1S/C102H66N4/c1-7-29-65(30-8-1)91-63-93(69-35-25-33-67(59-69)77-49-27-53-89-97(77)83-47-21-23-51-87(83)101(89,73-37-11-3-12-38-73)74-39-13-4-14-40-74)105-99(103-91)71-55-57-81-85(61-71)95-79-45-19-20-46-80(79)96(81)86-62-72(56-58-82(86)95)100-104-92(66-31-9-2-10-32-66)64-94(106-100)70-36-26-34-68(60-70)78-50-28-54-90-98(78)84-48-22-24-52-88(84)102(90,75-41-15-5-16-42-75)76-43-17-6-18-44-76/h1-64,95-96H
InChIKeyYSVQEFBZVWSXKR-UHFFFAOYSA-N
XLogP24.32
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001347.68
LogP ≤ 524.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-[11-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine with MolForge

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Related Compounds

4-(9,9-diphenylfluoren-4-yl)-2-[11-[4-(9,9-diphenylfluoren-4-yl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine
CID 165151100
2-[11-[6-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4,6-diphenyl-1,3,5-triazine
CID 165151695
2-[11-[6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-4,6-diphenyl-1,3,5-triazine
CID 165151481
4-(3-phenylphenyl)-6-(4-phenylphenyl)-2-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
CID 90059569
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 165150755
4,6-diphenyl-2-[3-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[3-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine;4,6-diphenyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]pyrimidine
CID 161181534
bis(2-[3-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine);bis(2-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]-4,6-diphenylpyrimidine)
CID 158861729
2,4-diphenyl-6-[11-[2-phenyl-6-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine
CID 165150730
4-(4-dibenzofuran-1-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171602956
2,4-diphenyl-6-[11-[2-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine
CID 165151435
2,4-diphenyl-6-[3-[3-(9-phenyl-9-pyridin-3-ylfluoren-4-yl)phenyl]phenyl]pyrimidine
CID 142385241
4-(4-dibenzofuran-3-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171603135

Frequently Asked Questions

What is the IUPAC name of 4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-[11-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine?
The IUPAC name of 4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-[11-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine (CID 165151266) is 4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-[11-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine.
What is the SMILES notation for 4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-[11-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine?
The canonical SMILES for 4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-[11-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine is c1ccc(-c2cc(-c3cccc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)cc(-c6cccc(-c7cccc8c7-c7ccccc7C8(c7ccccc7)c7ccccc7)c6)n5)ccc43)n2)cc1.
What is the InChIKey of 4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-[11-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine?
The InChIKey is YSVQEFBZVWSXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H66N4/c1-7-29-65(30-8-1)91-63-93(69-35-25-33-67(59-69)77-49-27-53-89-97(77)83-47-21-23-51-87(83)101(89,73-37-11-3-12-38-73)74-39-13-4-14-40-74)105-99(103-91)71-55-57-81-85(61-71)95-79-45-19-20-46-80(79)96(81)86-62-72(56-58-82(86)95)100-104-92(66-31-9-2-10-32-66)64-94(106-100)70-36-26-34-68(60-70)78-50-28-54-90-98(78)84-48-22-24-52-88(84)102(90,75-41-15-5-16-42-75)76-43-17-6-18-44-76/h1-64,95-96H.
What are the key properties of 4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-[11-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine?
4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-[11-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine has a molecular weight of 1347.68 g/mol, XLogP of 24.32, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-[11-[4-[3-(9,9-diphenylfluoren-4-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine is sourced from PubChem (CID 165151266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).