4'-[10-(4,5-diphenylanthracen-9-yl)-8-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)anthracen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene]

C102H64N2 — CID 155333996

IUPAC4'-[10-(4,5-diphenylanthracen-9-yl)-8-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)anthracen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene]
SMILESc1ccc(-c2cccc3c(-c4c5cccc(-c6cccc7c6-c6ccccc6C76c7ccccc7N(c7ccccc7)c7ccccc76)c5cc5c(-c6cccc7c6-c6ccccc6C76c7ccccc7N(c7ccccc7)c7ccccc76)cccc45)c4cccc(-c5ccccc5)c4cc23)cc1
InChIInChI=1S/C102H64N2/c1-5-31-65(32-6-1)69-41-25-45-75-81(69)63-82-70(66-33-7-2-8-34-66)42-26-46-76(82)99(75)100-77-47-27-43-71(73-49-29-57-91-97(73)79-39-13-15-51-85(79)101(91)87-53-17-21-59-93(87)103(67-35-9-3-10-36-67)94-60-22-18-54-88(94)101)83(77)64-84-72(44-28-48-78(84)100)74-50-30-58-92-98(74)80-40-14-16-52-86(80)102(92)89-55-19-23-61-95(89)104(68-37-11-4-12-38-68)96-62-24-20-56-90(96)102/h1-64H
InChIKeyLYQQTCBSGYWWPP-UHFFFAOYSA-N
MW1317.65 g/mol
LogP26.93
Rot. Bonds7

About 4'-[10-(4,5-diphenylanthracen-9-yl)-8-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)anthracen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene]

4'-[10-(4,5-diphenylanthracen-9-yl)-8-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)anthracen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene] (PubChem CID 155333996) has the molecular formula C102H64N2 and a molecular weight of 1317.65 g/mol. Its IUPAC name is 4'-[10-(4,5-diphenylanthracen-9-yl)-8-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)anthracen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene].

Molecular Properties

Compound Name4'-[10-(4,5-diphenylanthracen-9-yl)-8-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)anthracen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene]
PubChem CID155333996
Molecular FormulaC102H64N2
Molecular Weight1317.65 g/mol
Exact Mass1316.51
IUPAC Name4'-[10-(4,5-diphenylanthracen-9-yl)-8-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)anthracen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene]
SMILESc1ccc(-c2cccc3c(-c4c5cccc(-c6cccc7c6-c6ccccc6C76c7ccccc7N(c7ccccc7)c7ccccc76)c5cc5c(-c6cccc7c6-c6ccccc6C76c7ccccc7N(c7ccccc7)c7ccccc76)cccc45)c4cccc(-c5ccccc5)c4cc23)cc1
InChIInChI=1S/C102H64N2/c1-5-31-65(32-6-1)69-41-25-45-75-81(69)63-82-70(66-33-7-2-8-34-66)42-26-46-76(82)99(75)100-77-47-27-43-71(73-49-29-57-91-97(73)79-39-13-15-51-85(79)101(91)87-53-17-21-59-93(87)103(67-35-9-3-10-36-67)94-60-22-18-54-88(94)101)83(77)64-84-72(44-28-48-78(84)100)74-50-30-58-92-98(74)80-40-14-16-52-86(80)102(92)89-55-19-23-61-95(89)104(68-37-11-4-12-38-68)96-62-24-20-56-90(96)102/h1-64H
InChIKeyLYQQTCBSGYWWPP-UHFFFAOYSA-N
XLogP26.93
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001317.65
LogP ≤ 526.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 4'-[10-(4,5-diphenylanthracen-9-yl)-8-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)anthracen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene] 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

10-phenyl-4'-[10-(3-phenylnaphthalen-1-yl)-8-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)anthracen-1-yl]spiro[acridine-9,9'-fluorene]
CID 155332991
4'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 146495788
4-[10-(9,9-diphenylfluoren-4-yl)-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]-9,9,10-triphenylacridine
CID 155333482
10-phenyl-4'-[6-phenyl-4-(3-phenylphenyl)-2-pyridinyl]spiro[acridine-9,9'-fluorene]
CID 146663709
1-[8-(9,9-dimethyl-10-phenylacridin-1-yl)-10-(2-phenylphenyl)anthracen-1-yl]-9,9-dimethyl-10-phenylacridine
CID 155333450
1-[8-(9,9-dimethyl-10-phenylacridin-1-yl)-10-spiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-ylanthracen-1-yl]-9,9-dimethyl-10-phenylacridine
CID 155334451
10-phenyl-4'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]
CID 139521151
4'-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 139521327
10-phenyl-N-[2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[acridine-9,9'-fluorene]-4'-amine
CID 135166841
10-[10-(4-phenylphenyl)-8-spiro[acridine-9,9'-fluorene]-10-ylanthracen-1-yl]spiro[acridine-9,9'-fluorene]
CID 155333863
1-[10-(9,9-dimethylfluoren-4-yl)-8-(9,9,10-triphenylacridin-1-yl)anthracen-1-yl]-9,9,10-triphenylacridine
CID 155334491
N-naphthalen-1-yl-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 135166872

Frequently Asked Questions

What is the IUPAC name of 4'-[10-(4,5-diphenylanthracen-9-yl)-8-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)anthracen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene]?
The IUPAC name of 4'-[10-(4,5-diphenylanthracen-9-yl)-8-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)anthracen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene] (CID 155333996) is 4'-[10-(4,5-diphenylanthracen-9-yl)-8-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)anthracen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene].
What is the SMILES notation for 4'-[10-(4,5-diphenylanthracen-9-yl)-8-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)anthracen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene]?
The canonical SMILES for 4'-[10-(4,5-diphenylanthracen-9-yl)-8-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)anthracen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene] is c1ccc(-c2cccc3c(-c4c5cccc(-c6cccc7c6-c6ccccc6C76c7ccccc7N(c7ccccc7)c7ccccc76)c5cc5c(-c6cccc7c6-c6ccccc6C76c7ccccc7N(c7ccccc7)c7ccccc76)cccc45)c4cccc(-c5ccccc5)c4cc23)cc1.
What is the InChIKey of 4'-[10-(4,5-diphenylanthracen-9-yl)-8-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)anthracen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene]?
The InChIKey is LYQQTCBSGYWWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H64N2/c1-5-31-65(32-6-1)69-41-25-45-75-81(69)63-82-70(66-33-7-2-8-34-66)42-26-46-76(82)99(75)100-77-47-27-43-71(73-49-29-57-91-97(73)79-39-13-15-51-85(79)101(91)87-53-17-21-59-93(87)103(67-35-9-3-10-36-67)94-60-22-18-54-88(94)101)83(77)64-84-72(44-28-48-78(84)100)74-50-30-58-92-98(74)80-40-14-16-52-86(80)102(92)89-55-19-23-61-95(89)104(68-37-11-4-12-38-68)96-62-24-20-56-90(96)102/h1-64H.
What are the key properties of 4'-[10-(4,5-diphenylanthracen-9-yl)-8-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)anthracen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene]?
4'-[10-(4,5-diphenylanthracen-9-yl)-8-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)anthracen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene] has a molecular weight of 1317.65 g/mol, XLogP of 26.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-[10-(4,5-diphenylanthracen-9-yl)-8-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)anthracen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 155333996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).