4-phenyl-2-[11-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidin-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-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine

C102H62N4O2 — CID 165151231

IUPAC4-phenyl-2-[11-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidin-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-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)cc3)nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)cc(-c6ccc(-c7ccc8c(c7)C7(c9ccccc9Oc9ccccc97)c7ccccc7-8)cc6)n5)ccc43)n2)cc1
InChIInChI=1S/C102H62N4O2/c1-3-21-63(22-4-1)89-59-91(65-43-39-61(40-44-65)67-47-51-73-71-25-9-11-29-81(71)101(87(73)57-67)83-31-13-17-35-93(83)107-94-36-18-14-32-84(94)101)105-99(103-89)69-49-53-77-79(55-69)97-75-27-7-8-28-76(75)98(77)80-56-70(50-54-78(80)97)100-104-90(64-23-5-2-6-24-64)60-92(106-100)66-45-41-62(42-46-66)68-48-52-74-72-26-10-12-30-82(72)102(88(74)58-68)85-33-15-19-37-95(85)108-96-38-20-16-34-86(96)102/h1-60,97-98H
InChIKeyKZVITAOGTOIDSQ-UHFFFAOYSA-N
MW1375.64 g/mol
LogP24.53
Rot. Bonds8

About 4-phenyl-2-[11-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidin-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-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine

4-phenyl-2-[11-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidin-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-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine (PubChem CID 165151231) has the molecular formula C102H62N4O2 and a molecular weight of 1375.64 g/mol. Its IUPAC name is 4-phenyl-2-[11-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidin-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-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-phenyl-2-[11-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidin-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-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine
PubChem CID165151231
Molecular FormulaC102H62N4O2
Molecular Weight1375.64 g/mol
Exact Mass1374.49
IUPAC Name4-phenyl-2-[11-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidin-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-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)cc3)nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)cc(-c6ccc(-c7ccc8c(c7)C7(c9ccccc9Oc9ccccc97)c7ccccc7-8)cc6)n5)ccc43)n2)cc1
InChIInChI=1S/C102H62N4O2/c1-3-21-63(22-4-1)89-59-91(65-43-39-61(40-44-65)67-47-51-73-71-25-9-11-29-81(71)101(87(73)57-67)83-31-13-17-35-93(83)107-94-36-18-14-32-84(94)101)105-99(103-89)69-49-53-77-79(55-69)97-75-27-7-8-28-76(75)98(77)80-56-70(50-54-78(80)97)100-104-90(64-23-5-2-6-24-64)60-92(106-100)66-45-41-62(42-46-66)68-48-52-74-72-26-10-12-30-82(72)102(88(74)58-68)85-33-15-19-37-95(85)108-96-38-20-16-34-86(96)102/h1-60,97-98H
InChIKeyKZVITAOGTOIDSQ-UHFFFAOYSA-N
XLogP24.53
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001375.64
LogP ≤ 524.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-phenyl-2-[11-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidin-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-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-4-[11-[2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)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]-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine
CID 165150791
4-phenyl-2-[11-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-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-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 165150813
2,4-diphenyl-6-[11-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-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]-1,3,5-triazine
CID 165150876
4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947292
4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947343
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine
CID 139306316
2-[3-[4-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 163776996
4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 140947168
2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130378933
2-phenyl-4-(3-phenylphenyl)-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine
CID 134571369
2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379698
2-[3-[6'-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-4-phenyl-6-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine
CID 166650929

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[11-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidin-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-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine?
The IUPAC name of 4-phenyl-2-[11-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidin-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-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine (CID 165151231) is 4-phenyl-2-[11-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidin-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-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine.
What is the SMILES notation for 4-phenyl-2-[11-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidin-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-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine?
The canonical SMILES for 4-phenyl-2-[11-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidin-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-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)cc3)nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)cc(-c6ccc(-c7ccc8c(c7)C7(c9ccccc9Oc9ccccc97)c7ccccc7-8)cc6)n5)ccc43)n2)cc1.
What is the InChIKey of 4-phenyl-2-[11-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidin-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-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine?
The InChIKey is KZVITAOGTOIDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H62N4O2/c1-3-21-63(22-4-1)89-59-91(65-43-39-61(40-44-65)67-47-51-73-71-25-9-11-29-81(71)101(87(73)57-67)83-31-13-17-35-93(83)107-94-36-18-14-32-84(94)101)105-99(103-89)69-49-53-77-79(55-69)97-75-27-7-8-28-76(75)98(77)80-56-70(50-54-78(80)97)100-104-90(64-23-5-2-6-24-64)60-92(106-100)66-45-41-62(42-46-66)68-48-52-74-72-26-10-12-30-82(72)102(88(74)58-68)85-33-15-19-37-95(85)108-96-38-20-16-34-86(96)102/h1-60,97-98H.
What are the key properties of 4-phenyl-2-[11-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidin-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-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine?
4-phenyl-2-[11-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidin-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-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine has a molecular weight of 1375.64 g/mol, XLogP of 24.53, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[11-[4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidin-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-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)pyrimidine is sourced from PubChem (CID 165151231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).