2-[4-[6'-[4-[4-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazolin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-1,10-phenanthroline

C88H52N4O2 — CID 146343168

IUPAC2-[4-[6'-[4-[4-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazolin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-1,10-phenanthroline
SMILESc1ccc2c(c1)Oc1cc(-c3ccc(-c4nc(-c5ccc(-c6ccc7c(c6)Oc6cc(-c8ccc(-c9ccc%10ccc%11cccnc%11c%10n9)cc8)ccc6C76c7ccccc7-c7ccccc76)cc5)nc5ccccc45)cc3)ccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C88H52N4O2/c1-6-20-69-64(15-1)65-16-2-7-21-70(65)87(69)73-24-10-12-26-79(73)93-80-50-61(41-45-74(80)87)54-29-35-58(36-30-54)83-68-19-5-11-25-78(68)91-86(92-83)60-39-31-55(32-40-60)63-43-47-76-82(52-63)94-81-51-62(42-46-75(81)88(76)71-22-8-3-17-66(71)67-18-4-9-23-72(67)88)53-27-33-56(34-28-53)77-48-44-59-38-37-57-14-13-49-89-84(57)85(59)90-77/h1-52H
InChIKeyILWQQQAPWSKQFL-UHFFFAOYSA-N
MW1197.41 g/mol
LogP21.67
Rot. Bonds6

About 2-[4-[6'-[4-[4-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazolin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-1,10-phenanthroline

2-[4-[6'-[4-[4-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazolin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-1,10-phenanthroline (PubChem CID 146343168) has the molecular formula C88H52N4O2 and a molecular weight of 1197.41 g/mol. Its IUPAC name is 2-[4-[6'-[4-[4-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazolin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-[4-[6'-[4-[4-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazolin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-1,10-phenanthroline
PubChem CID146343168
Molecular FormulaC88H52N4O2
Molecular Weight1197.41 g/mol
Exact Mass1196.41
IUPAC Name2-[4-[6'-[4-[4-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazolin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-1,10-phenanthroline
SMILESc1ccc2c(c1)Oc1cc(-c3ccc(-c4nc(-c5ccc(-c6ccc7c(c6)Oc6cc(-c8ccc(-c9ccc%10ccc%11cccnc%11c%10n9)cc8)ccc6C76c7ccccc7-c7ccccc76)cc5)nc5ccccc45)cc3)ccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C88H52N4O2/c1-6-20-69-64(15-1)65-16-2-7-21-70(65)87(69)73-24-10-12-26-79(73)93-80-50-61(41-45-74(80)87)54-29-35-58(36-30-54)83-68-19-5-11-25-78(68)91-86(92-83)60-39-31-55(32-40-60)63-43-47-76-82(52-63)94-81-51-62(42-46-75(81)88(76)71-22-8-3-17-66(71)67-18-4-9-23-72(67)88)53-27-33-56(34-28-53)77-48-44-59-38-37-57-14-13-49-89-84(57)85(59)90-77/h1-52H
InChIKeyILWQQQAPWSKQFL-UHFFFAOYSA-N
XLogP21.67
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001197.41
LogP ≤ 521.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[4-[6'-[4-[4-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazolin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-1,10-phenanthroline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6'-[4-[4-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazolin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-1,10-phenanthroline?
The IUPAC name of 2-[4-[6'-[4-[4-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazolin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-1,10-phenanthroline (CID 146343168) is 2-[4-[6'-[4-[4-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazolin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-1,10-phenanthroline.
What is the SMILES notation for 2-[4-[6'-[4-[4-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazolin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-1,10-phenanthroline?
The canonical SMILES for 2-[4-[6'-[4-[4-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazolin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-1,10-phenanthroline is c1ccc2c(c1)Oc1cc(-c3ccc(-c4nc(-c5ccc(-c6ccc7c(c6)Oc6cc(-c8ccc(-c9ccc%10ccc%11cccnc%11c%10n9)cc8)ccc6C76c7ccccc7-c7ccccc76)cc5)nc5ccccc45)cc3)ccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[4-[6'-[4-[4-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazolin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-1,10-phenanthroline?
The InChIKey is ILWQQQAPWSKQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H52N4O2/c1-6-20-69-64(15-1)65-16-2-7-21-70(65)87(69)73-24-10-12-26-79(73)93-80-50-61(41-45-74(80)87)54-29-35-58(36-30-54)83-68-19-5-11-25-78(68)91-86(92-83)60-39-31-55(32-40-60)63-43-47-76-82(52-63)94-81-51-62(42-46-75(81)88(76)71-22-8-3-17-66(71)67-18-4-9-23-72(67)88)53-27-33-56(34-28-53)77-48-44-59-38-37-57-14-13-49-89-84(57)85(59)90-77/h1-52H.
What are the key properties of 2-[4-[6'-[4-[4-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazolin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-1,10-phenanthroline?
2-[4-[6'-[4-[4-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazolin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-1,10-phenanthroline has a molecular weight of 1197.41 g/mol, XLogP of 21.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6'-[4-[4-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazolin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 146343168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).