4-[3-[3-[9,9-diphenyl-3-(4-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4,6-diphenyl-2-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine

C207H136N6 — CID 160668603

IUPAC4-[3-[3-[9,9-diphenyl-3-(4-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4,6-diphenyl-2-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-c5cccc(-c6cc7c(cc6-c6ccc(-c8ccccc8)cc6)-c6ccccc6C76c7ccccc7-c7ccccc76)c5)c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc4c(cc3-c3cccc(-c5cccc(-c6cc(-c7cccc(-c8ccccc8)c7)nc(-c7ccccc7)n6)c5)c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1.c1ccc(-c2ccc(-c3cc4c(cc3-c3cccc(-c5cccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5)c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C71H46N2.C71H48N2.C65H42N2/c1-4-18-47(19-5-1)49-34-38-51(39-35-49)61-44-63-60-30-12-15-33-66(60)71(64-31-13-10-28-58(64)59-29-11-14-32-65(59)71)67(63)45-62(61)56-26-16-24-54(42-56)55-25-17-27-57(43-55)69-46-68(72-70(73-69)53-22-8-3-9-23-53)52-40-36-50(37-41-52)48-20-6-2-7-21-48;1-6-21-49(22-7-1)51-39-41-52(42-40-51)63-46-65-62-37-16-17-38-66(62)71(60-33-12-4-13-34-60,61-35-14-5-15-36-61)67(65)47-64(63)57-30-18-28-55(43-57)56-29-20-32-59(45-56)69-48-68(72-70(73-69)53-25-10-3-11-26-53)58-31-19-27-54(44-58)50-23-8-2-9-24-50;1-4-18-43(19-5-1)44-34-36-45(37-35-44)55-40-57-54-30-12-15-33-60(54)65(58-31-13-10-28-52(58)53-29-11-14-32-59(53)65)61(57)41-56(55)50-26-16-24-48(38-50)49-25-17-27-51(39-49)64-66-62(46-20-6-2-7-21-46)42-63(67-64)47-22-8-3-9-23-47/h1-46H;1-48H;1-42H
InChIKeyRMQDOTMHRYCKIX-UHFFFAOYSA-N
MW2707.41 g/mol
LogP52.82
Rot. Bonds25

About 4-[3-[3-[9,9-diphenyl-3-(4-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4,6-diphenyl-2-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine

4-[3-[3-[9,9-diphenyl-3-(4-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4,6-diphenyl-2-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine (PubChem CID 160668603) has the molecular formula C207H136N6 and a molecular weight of 2707.41 g/mol. Its IUPAC name is 4-[3-[3-[9,9-diphenyl-3-(4-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4,6-diphenyl-2-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine.

Molecular Properties

Compound Name4-[3-[3-[9,9-diphenyl-3-(4-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4,6-diphenyl-2-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine
PubChem CID160668603
Molecular FormulaC207H136N6
Molecular Weight2707.41 g/mol
Exact Mass2705.08
IUPAC Name4-[3-[3-[9,9-diphenyl-3-(4-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4,6-diphenyl-2-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc(-c5cccc(-c6cc7c(cc6-c6ccc(-c8ccccc8)cc6)-c6ccccc6C76c7ccccc7-c7ccccc76)c5)c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc4c(cc3-c3cccc(-c5cccc(-c6cc(-c7cccc(-c8ccccc8)c7)nc(-c7ccccc7)n6)c5)c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1.c1ccc(-c2ccc(-c3cc4c(cc3-c3cccc(-c5cccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5)c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1
InChIInChI=1S/C71H46N2.C71H48N2.C65H42N2/c1-4-18-47(19-5-1)49-34-38-51(39-35-49)61-44-63-60-30-12-15-33-66(60)71(64-31-13-10-28-58(64)59-29-11-14-32-65(59)71)67(63)45-62(61)56-26-16-24-54(42-56)55-25-17-27-57(43-55)69-46-68(72-70(73-69)53-22-8-3-9-23-53)52-40-36-50(37-41-52)48-20-6-2-7-21-48;1-6-21-49(22-7-1)51-39-41-52(42-40-51)63-46-65-62-37-16-17-38-66(62)71(60-33-12-4-13-34-60,61-35-14-5-15-36-61)67(65)47-64(63)57-30-18-28-55(43-57)56-29-20-32-59(45-56)69-48-68(72-70(73-69)53-25-10-3-11-26-53)58-31-19-27-54(44-58)50-23-8-2-9-24-50;1-4-18-43(19-5-1)44-34-36-45(37-35-44)55-40-57-54-30-12-15-33-60(54)65(58-31-13-10-28-52(58)53-29-11-14-32-59(53)65)61(57)41-56(55)50-26-16-24-48(38-50)49-25-17-27-51(39-49)64-66-62(46-20-6-2-7-21-46)42-63(67-64)47-22-8-3-9-23-47/h1-46H;1-48H;1-42H
InChIKeyRMQDOTMHRYCKIX-UHFFFAOYSA-N
XLogP52.82
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms213
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002707.41
LogP ≤ 552.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3-[3-[9,9-diphenyl-3-(4-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4,6-diphenyl-2-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[9,9-diphenyl-3-(4-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4,6-diphenyl-2-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine?
The IUPAC name of 4-[3-[3-[9,9-diphenyl-3-(4-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4,6-diphenyl-2-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine (CID 160668603) is 4-[3-[3-[9,9-diphenyl-3-(4-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4,6-diphenyl-2-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine.
What is the SMILES notation for 4-[3-[3-[9,9-diphenyl-3-(4-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4,6-diphenyl-2-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine?
The canonical SMILES for 4-[3-[3-[9,9-diphenyl-3-(4-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4,6-diphenyl-2-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine is c1ccc(-c2ccc(-c3cc(-c4cccc(-c5cccc(-c6cc7c(cc6-c6ccc(-c8ccccc8)cc6)-c6ccccc6C76c7ccccc7-c7ccccc76)c5)c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc4c(cc3-c3cccc(-c5cccc(-c6cc(-c7cccc(-c8ccccc8)c7)nc(-c7ccccc7)n6)c5)c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1.c1ccc(-c2ccc(-c3cc4c(cc3-c3cccc(-c5cccc(-c6nc(-c7ccccc7)cc(-c7ccccc7)n6)c5)c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1.
What is the InChIKey of 4-[3-[3-[9,9-diphenyl-3-(4-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4,6-diphenyl-2-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine?
The InChIKey is RMQDOTMHRYCKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H46N2.C71H48N2.C65H42N2/c1-4-18-47(19-5-1)49-34-38-51(39-35-49)61-44-63-60-30-12-15-33-66(60)71(64-31-13-10-28-58(64)59-29-11-14-32-65(59)71)67(63)45-62(61)56-26-16-24-54(42-56)55-25-17-27-57(43-55)69-46-68(72-70(73-69)53-22-8-3-9-23-53)52-40-36-50(37-41-52)48-20-6-2-7-21-48;1-6-21-49(22-7-1)51-39-41-52(42-40-51)63-46-65-62-37-16-17-38-66(62)71(60-33-12-4-13-34-60,61-35-14-5-15-36-61)67(65)47-64(63)57-30-18-28-55(43-57)56-29-20-32-59(45-56)69-48-68(72-70(73-69)53-25-10-3-11-26-53)58-31-19-27-54(44-58)50-23-8-2-9-24-50;1-4-18-43(19-5-1)44-34-36-45(37-35-44)55-40-57-54-30-12-15-33-60(54)65(58-31-13-10-28-52(58)53-29-11-14-32-59(53)65)61(57)41-56(55)50-26-16-24-48(38-50)49-25-17-27-51(39-49)64-66-62(46-20-6-2-7-21-46)42-63(67-64)47-22-8-3-9-23-47/h1-46H;1-48H;1-42H.
What are the key properties of 4-[3-[3-[9,9-diphenyl-3-(4-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4,6-diphenyl-2-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine?
4-[3-[3-[9,9-diphenyl-3-(4-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4,6-diphenyl-2-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine has a molecular weight of 2707.41 g/mol, XLogP of 52.82, 25 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[9,9-diphenyl-3-(4-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4,6-diphenyl-2-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[3-[3-[3'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]pyrimidine is sourced from PubChem (CID 160668603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).