4-phenyl-6-(4-phenylphenyl)-2-[4-[6'-[4-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine

C100H62N4O2 — CID 155305190

IUPAC4-phenyl-6-(4-phenylphenyl)-2-[4-[6'-[4-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccc6c(c5)Oc5cc(-c7ccc(-c8cc(-c9ccccc9)nc(-c9ccc(-c%10ccc%11c(c%10)Oc%10ccccc%10C%11%10c%11ccccc%11-c%11ccccc%11%10)cc9)n8)cc7)ccc5C65c6ccccc6-c6ccccc65)cc4)n3)cc2)cc1
InChIInChI=1S/C100H62N4O2/c1-4-20-63(21-5-1)64-36-44-70(45-37-64)91-61-89(68-22-6-2-7-23-68)101-97(103-91)73-50-42-67(43-51-73)76-54-57-88-96(60-76)106-95-59-75(53-56-87(95)100(88)83-32-16-12-28-79(83)80-29-13-17-33-84(80)100)65-38-46-71(47-39-65)92-62-90(69-24-8-3-9-25-69)102-98(104-92)72-48-40-66(41-49-72)74-52-55-86-94(58-74)105-93-35-19-18-34-85(93)99(86)81-30-14-10-26-77(81)78-27-11-15-31-82(78)99/h1-62H
InChIKeySCBDYARGGVPGRY-UHFFFAOYSA-N
MW1351.62 g/mol
LogP24.87
Rot. Bonds10

About 4-phenyl-6-(4-phenylphenyl)-2-[4-[6'-[4-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine

4-phenyl-6-(4-phenylphenyl)-2-[4-[6'-[4-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine (PubChem CID 155305190) has the molecular formula C100H62N4O2 and a molecular weight of 1351.62 g/mol. Its IUPAC name is 4-phenyl-6-(4-phenylphenyl)-2-[4-[6'-[4-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine.

Molecular Properties

Compound Name4-phenyl-6-(4-phenylphenyl)-2-[4-[6'-[4-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine
PubChem CID155305190
Molecular FormulaC100H62N4O2
Molecular Weight1351.62 g/mol
Exact Mass1350.49
IUPAC Name4-phenyl-6-(4-phenylphenyl)-2-[4-[6'-[4-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccc6c(c5)Oc5cc(-c7ccc(-c8cc(-c9ccccc9)nc(-c9ccc(-c%10ccc%11c(c%10)Oc%10ccccc%10C%11%10c%11ccccc%11-c%11ccccc%11%10)cc9)n8)cc7)ccc5C65c6ccccc6-c6ccccc65)cc4)n3)cc2)cc1
InChIInChI=1S/C100H62N4O2/c1-4-20-63(21-5-1)64-36-44-70(45-37-64)91-61-89(68-22-6-2-7-23-68)101-97(103-91)73-50-42-67(43-51-73)76-54-57-88-96(60-76)106-95-59-75(53-56-87(95)100(88)83-32-16-12-28-79(83)80-29-13-17-33-84(80)100)65-38-46-71(47-39-65)92-62-90(69-24-8-3-9-25-69)102-98(104-92)72-48-40-66(41-49-72)74-52-55-86-94(58-74)105-93-35-19-18-34-85(93)99(86)81-30-14-10-26-77(81)78-27-11-15-31-82(78)99/h1-62H
InChIKeySCBDYARGGVPGRY-UHFFFAOYSA-N
XLogP24.87
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001351.62
LogP ≤ 524.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-phenyl-6-(4-phenylphenyl)-2-[4-[6'-[4-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine with MolForge

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Related Compounds

4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 140947168
4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 137389326
2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379698
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 139521262
4,6-bis(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-phenyl-6-(2-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 157164289
4-phenyl-6-pyridin-2-yl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 130380006
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
4-phenyl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine
CID 137388581
4-phenyl-6-(3-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379969
4-phenyl-6-(3-phenylphenyl)-2-[4-[7'-[3-[4-[6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine
CID 155443385
2-phenyl-4-(3-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379672
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine
CID 139306316

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-(4-phenylphenyl)-2-[4-[6'-[4-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine?
The IUPAC name of 4-phenyl-6-(4-phenylphenyl)-2-[4-[6'-[4-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine (CID 155305190) is 4-phenyl-6-(4-phenylphenyl)-2-[4-[6'-[4-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine.
What is the SMILES notation for 4-phenyl-6-(4-phenylphenyl)-2-[4-[6'-[4-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine?
The canonical SMILES for 4-phenyl-6-(4-phenylphenyl)-2-[4-[6'-[4-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccc6c(c5)Oc5cc(-c7ccc(-c8cc(-c9ccccc9)nc(-c9ccc(-c%10ccc%11c(c%10)Oc%10ccccc%10C%11%10c%11ccccc%11-c%11ccccc%11%10)cc9)n8)cc7)ccc5C65c6ccccc6-c6ccccc65)cc4)n3)cc2)cc1.
What is the InChIKey of 4-phenyl-6-(4-phenylphenyl)-2-[4-[6'-[4-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine?
The InChIKey is SCBDYARGGVPGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H62N4O2/c1-4-20-63(21-5-1)64-36-44-70(45-37-64)91-61-89(68-22-6-2-7-23-68)101-97(103-91)73-50-42-67(43-51-73)76-54-57-88-96(60-76)106-95-59-75(53-56-87(95)100(88)83-32-16-12-28-79(83)80-29-13-17-33-84(80)100)65-38-46-71(47-39-65)92-62-90(69-24-8-3-9-25-69)102-98(104-92)72-48-40-66(41-49-72)74-52-55-86-94(58-74)105-93-35-19-18-34-85(93)99(86)81-30-14-10-26-77(81)78-27-11-15-31-82(78)99/h1-62H.
What are the key properties of 4-phenyl-6-(4-phenylphenyl)-2-[4-[6'-[4-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine?
4-phenyl-6-(4-phenylphenyl)-2-[4-[6'-[4-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine has a molecular weight of 1351.62 g/mol, XLogP of 24.87, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-(4-phenylphenyl)-2-[4-[6'-[4-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine is sourced from PubChem (CID 155305190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).