2,7,9,9-tetraphenyl-10-(9,9'-spirobi[fluorene]-1-yl)acridine

C62H41N — CID 168750131

IUPAC2,7,9,9-tetraphenyl-10-(9,9'-spirobi[fluorene]-1-yl)acridine
SMILESc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccccc4)ccc2N3c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C62H41N/c1-5-20-42(21-6-1)44-36-38-57-55(40-44)61(46-24-9-3-10-25-46,47-26-11-4-12-27-47)56-41-45(43-22-7-2-8-23-43)37-39-58(56)63(57)59-35-19-31-51-50-30-15-18-34-54(50)62(60(51)59)52-32-16-13-28-48(52)49-29-14-17-33-53(49)62/h1-41H
InChIKeyDOJRADSMNJXFKB-UHFFFAOYSA-N
MW800.02 g/mol
LogP15.53
Rot. Bonds5

About 2,7,9,9-tetraphenyl-10-(9,9'-spirobi[fluorene]-1-yl)acridine

2,7,9,9-tetraphenyl-10-(9,9'-spirobi[fluorene]-1-yl)acridine (PubChem CID 168750131) has the molecular formula C62H41N and a molecular weight of 800.02 g/mol. Its IUPAC name is 2,7,9,9-tetraphenyl-10-(9,9'-spirobi[fluorene]-1-yl)acridine.

Molecular Properties

Compound Name2,7,9,9-tetraphenyl-10-(9,9'-spirobi[fluorene]-1-yl)acridine
PubChem CID168750131
Molecular FormulaC62H41N
Molecular Weight800.02 g/mol
Exact Mass799.32
IUPAC Name2,7,9,9-tetraphenyl-10-(9,9'-spirobi[fluorene]-1-yl)acridine
SMILESc1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccccc4)ccc2N3c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C62H41N/c1-5-20-42(21-6-1)44-36-38-57-55(40-44)61(46-24-9-3-10-25-46,47-26-11-4-12-27-47)56-41-45(43-22-7-2-8-23-43)37-39-58(56)63(57)59-35-19-31-51-50-30-15-18-34-54(50)62(60(51)59)52-32-16-13-28-48(52)49-29-14-17-33-53(49)62/h1-41H
InChIKeyDOJRADSMNJXFKB-UHFFFAOYSA-N
XLogP15.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.02
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
3,9,9-triphenylfluorene
CID 140844354
N-(9,9-diphenylfluoren-2-yl)-1,13-diphenyl-N-(3-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine
CID 168750647
10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine
CID 59470076
9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 140873482
8,14-bis(2,4-diphenylphenyl)-11-(9-phenylfluoren-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 169282243
10-phenyl-1'-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]
CID 135293730
2-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 158956061
2-[3-(9-phenylfluoren-9-yl)phenyl]triphenylene
CID 123153262
2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465104
9,9-dimethyl-10-(7-phenyl-9,9'-spirobi[fluorene]-4-yl)acridine
CID 129258942
2-[4-[9-(4-triphenylen-2-ylphenyl)fluoren-9-yl]phenyl]triphenylene
CID 123796850

Frequently Asked Questions

What is the IUPAC name of 2,7,9,9-tetraphenyl-10-(9,9'-spirobi[fluorene]-1-yl)acridine?
The IUPAC name of 2,7,9,9-tetraphenyl-10-(9,9'-spirobi[fluorene]-1-yl)acridine (CID 168750131) is 2,7,9,9-tetraphenyl-10-(9,9'-spirobi[fluorene]-1-yl)acridine.
What is the SMILES notation for 2,7,9,9-tetraphenyl-10-(9,9'-spirobi[fluorene]-1-yl)acridine?
The canonical SMILES for 2,7,9,9-tetraphenyl-10-(9,9'-spirobi[fluorene]-1-yl)acridine is c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccccc4)ccc2N3c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of 2,7,9,9-tetraphenyl-10-(9,9'-spirobi[fluorene]-1-yl)acridine?
The InChIKey is DOJRADSMNJXFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41N/c1-5-20-42(21-6-1)44-36-38-57-55(40-44)61(46-24-9-3-10-25-46,47-26-11-4-12-27-47)56-41-45(43-22-7-2-8-23-43)37-39-58(56)63(57)59-35-19-31-51-50-30-15-18-34-54(50)62(60(51)59)52-32-16-13-28-48(52)49-29-14-17-33-53(49)62/h1-41H.
What are the key properties of 2,7,9,9-tetraphenyl-10-(9,9'-spirobi[fluorene]-1-yl)acridine?
2,7,9,9-tetraphenyl-10-(9,9'-spirobi[fluorene]-1-yl)acridine has a molecular weight of 800.02 g/mol, XLogP of 15.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,9,9-tetraphenyl-10-(9,9'-spirobi[fluorene]-1-yl)acridine is sourced from PubChem (CID 168750131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).