4-[2-[3-[3-[3-[3-[3-phenyl-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9-pyridin-4-ylfluoren-9-yl]pyridine

C84H54N2 — CID 177115865

IUPAC4-[2-[3-[3-[3-[3-[3-phenyl-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9-pyridin-4-ylfluoren-9-yl]pyridine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7ccc8c(c7)C(c7ccncc7)(c7ccncc7)c7ccccc7-8)c6)c5)c4)c3)cc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C84H54N2/c1-2-17-55(18-3-1)65-51-66(53-67(52-65)70-31-16-36-80-82(70)75-30-7-11-35-79(75)84(80)77-33-9-5-27-71(77)72-28-6-10-34-78(72)84)63-26-15-24-61(50-63)59-22-13-20-57(48-59)56-19-12-21-58(47-56)60-23-14-25-62(49-60)64-37-38-74-73-29-4-8-32-76(73)83(81(74)54-64,68-39-43-85-44-40-68)69-41-45-86-46-42-69/h1-54H
InChIKeyQKXIBPAMTGZPOW-UHFFFAOYSA-N
MW1091.37 g/mol
LogP20.85
Rot. Bonds9

About 4-[2-[3-[3-[3-[3-[3-phenyl-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9-pyridin-4-ylfluoren-9-yl]pyridine

4-[2-[3-[3-[3-[3-[3-phenyl-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9-pyridin-4-ylfluoren-9-yl]pyridine (PubChem CID 177115865) has the molecular formula C84H54N2 and a molecular weight of 1091.37 g/mol. Its IUPAC name is 4-[2-[3-[3-[3-[3-[3-phenyl-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9-pyridin-4-ylfluoren-9-yl]pyridine.

Molecular Properties

Compound Name4-[2-[3-[3-[3-[3-[3-phenyl-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9-pyridin-4-ylfluoren-9-yl]pyridine
PubChem CID177115865
Molecular FormulaC84H54N2
Molecular Weight1091.37 g/mol
Exact Mass1090.43
IUPAC Name4-[2-[3-[3-[3-[3-[3-phenyl-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9-pyridin-4-ylfluoren-9-yl]pyridine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7ccc8c(c7)C(c7ccncc7)(c7ccncc7)c7ccccc7-8)c6)c5)c4)c3)cc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C84H54N2/c1-2-17-55(18-3-1)65-51-66(53-67(52-65)70-31-16-36-80-82(70)75-30-7-11-35-79(75)84(80)77-33-9-5-27-71(77)72-28-6-10-34-78(72)84)63-26-15-24-61(50-63)59-22-13-20-57(48-59)56-19-12-21-58(47-56)60-23-14-25-62(49-60)64-37-38-74-73-29-4-8-32-76(73)83(81(74)54-64,68-39-43-85-44-40-68)69-41-45-86-46-42-69/h1-54H
InChIKeyQKXIBPAMTGZPOW-UHFFFAOYSA-N
XLogP20.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001091.37
LogP ≤ 520.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[2-[3-[3-[3-[3-[3-phenyl-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9-pyridin-4-ylfluoren-9-yl]pyridine 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

4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]-5-phenylphenyl]-9,9'-spirobi[fluorene]
CID 177115837
4-[3-[3-[3-(9,9-diphenylfluoren-4-yl)-5-[3-(3-pyridin-4-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 164785729
4'-[3-[3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 177266011
2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyridine
CID 142385097
4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 166563560
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenylfluoren-9-yl]pyridine
CID 135173134
2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyrimidine;ethane
CID 142385444
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
2-(3-phenylphenyl)-4-pyridin-4-yl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146632404
3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 164785730
2-phenyl-6-[3-(3-phenylphenyl)phenyl]-4-(9,9'-spirobi[fluorene]-4'-yl)pyridine
CID 142356706

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[3-[3-[3-[3-phenyl-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9-pyridin-4-ylfluoren-9-yl]pyridine?
The IUPAC name of 4-[2-[3-[3-[3-[3-[3-phenyl-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9-pyridin-4-ylfluoren-9-yl]pyridine (CID 177115865) is 4-[2-[3-[3-[3-[3-[3-phenyl-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9-pyridin-4-ylfluoren-9-yl]pyridine.
What is the SMILES notation for 4-[2-[3-[3-[3-[3-[3-phenyl-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9-pyridin-4-ylfluoren-9-yl]pyridine?
The canonical SMILES for 4-[2-[3-[3-[3-[3-[3-phenyl-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9-pyridin-4-ylfluoren-9-yl]pyridine is c1ccc(-c2cc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7ccc8c(c7)C(c7ccncc7)(c7ccncc7)c7ccccc7-8)c6)c5)c4)c3)cc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1.
What is the InChIKey of 4-[2-[3-[3-[3-[3-[3-phenyl-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9-pyridin-4-ylfluoren-9-yl]pyridine?
The InChIKey is QKXIBPAMTGZPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H54N2/c1-2-17-55(18-3-1)65-51-66(53-67(52-65)70-31-16-36-80-82(70)75-30-7-11-35-79(75)84(80)77-33-9-5-27-71(77)72-28-6-10-34-78(72)84)63-26-15-24-61(50-63)59-22-13-20-57(48-59)56-19-12-21-58(47-56)60-23-14-25-62(49-60)64-37-38-74-73-29-4-8-32-76(73)83(81(74)54-64,68-39-43-85-44-40-68)69-41-45-86-46-42-69/h1-54H.
What are the key properties of 4-[2-[3-[3-[3-[3-[3-phenyl-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9-pyridin-4-ylfluoren-9-yl]pyridine?
4-[2-[3-[3-[3-[3-[3-phenyl-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9-pyridin-4-ylfluoren-9-yl]pyridine has a molecular weight of 1091.37 g/mol, XLogP of 20.85, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[3-[3-[3-[3-phenyl-5-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]phenyl]phenyl]phenyl]-9-pyridin-4-ylfluoren-9-yl]pyridine is sourced from PubChem (CID 177115865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).