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

C90H58N4 — CID 165151100

IUPAC4-(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
SMILESc1ccc(-c2cc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)cc(-c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)n5)ccc43)n2)cc1
InChIInChI=1S/C90H58N4/c1-7-27-57(28-8-1)79-55-81(71-43-25-47-77-85(71)69-41-21-23-45-75(69)89(77,61-31-11-3-12-32-61)62-33-13-4-14-34-62)93-87(91-79)59-49-51-67-73(53-59)83-65-39-19-20-40-66(65)84(67)74-54-60(50-52-68(74)83)88-92-80(58-29-9-2-10-30-58)56-82(94-88)72-44-26-48-78-86(72)70-42-22-24-46-76(70)90(78,63-35-15-5-16-36-63)64-37-17-6-18-38-64/h1-56,83-84H
InChIKeyIZFJIIROKWEWKA-UHFFFAOYSA-N
MW1195.48 g/mol
LogP20.98
Rot. Bonds10

About 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

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 (PubChem CID 165151100) has the molecular formula C90H58N4 and a molecular weight of 1195.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID165151100
Molecular FormulaC90H58N4
Molecular Weight1195.48 g/mol
Exact Mass1194.47
IUPAC Name4-(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
SMILESc1ccc(-c2cc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)cc(-c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)n5)ccc43)n2)cc1
InChIInChI=1S/C90H58N4/c1-7-27-57(28-8-1)79-55-81(71-43-25-47-77-85(71)69-41-21-23-45-75(69)89(77,61-31-11-3-12-32-61)62-33-13-4-14-34-62)93-87(91-79)59-49-51-67-73(53-59)83-65-39-19-20-40-66(65)84(67)74-54-60(50-52-68(74)83)88-92-80(58-29-9-2-10-30-58)56-82(94-88)72-44-26-48-78-86(72)70-42-22-24-46-76(70)90(78,63-35-15-5-16-36-63)64-37-17-6-18-38-64/h1-56,83-84H
InChIKeyIZFJIIROKWEWKA-UHFFFAOYSA-N
XLogP20.98
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001195.48
LogP ≤ 520.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
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
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-[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-(9,9-diphenylfluoren-4-yl)-2-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146631900
2-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4-[11-(4,6-diphenyl-1,3,5-triazin-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-phenyl-1,3,5-triazine
CID 165150875
4-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 168779870
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
4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603556
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-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168776711
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)cc(-c6cccc7c6-c6ccccc6C7(c6ccccc6)c6ccccc6)n5)ccc43)n2)cc1.
What is the InChIKey of 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?
The InChIKey is IZFJIIROKWEWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H58N4/c1-7-27-57(28-8-1)79-55-81(71-43-25-47-77-85(71)69-41-21-23-45-75(69)89(77,61-31-11-3-12-32-61)62-33-13-4-14-34-62)93-87(91-79)59-49-51-67-73(53-59)83-65-39-19-20-40-66(65)84(67)74-54-60(50-52-68(74)83)88-92-80(58-29-9-2-10-30-58)56-82(94-88)72-44-26-48-78-86(72)70-42-22-24-46-76(70)90(78,63-35-15-5-16-36-63)64-37-17-6-18-38-64/h1-56,83-84H.
What are the key properties of 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?
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 has a molecular weight of 1195.48 g/mol, XLogP of 20.98, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165151100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).