10-phenyl-3'-[3-[4-phenyl-2-(4-phenylphenyl)-2H-azet-1-yl]phenyl]spiro[acridine-9,9'-fluorene]

C58H40N2 — CID 129263285

IUPAC10-phenyl-3'-[3-[4-phenyl-2-(4-phenylphenyl)-2H-azet-1-yl]phenyl]spiro[acridine-9,9'-fluorene]
SMILESC1=C(c2ccccc2)N(c2cccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)c2)C1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C58H40N2/c1-4-17-40(18-5-1)41-31-33-43(34-32-41)57-39-56(42-19-6-2-7-20-42)60(57)47-24-16-21-44(37-47)45-35-36-51-49(38-45)48-25-10-11-26-50(48)58(51)52-27-12-14-29-54(52)59(46-22-8-3-9-23-46)55-30-15-13-28-53(55)58/h1-39,57H
InChIKeySWERFUQVUFFJCS-UHFFFAOYSA-N
MW764.97 g/mol
LogP14.77
Rot. Bonds6

About 10-phenyl-3'-[3-[4-phenyl-2-(4-phenylphenyl)-2H-azet-1-yl]phenyl]spiro[acridine-9,9'-fluorene]

10-phenyl-3'-[3-[4-phenyl-2-(4-phenylphenyl)-2H-azet-1-yl]phenyl]spiro[acridine-9,9'-fluorene] (PubChem CID 129263285) has the molecular formula C58H40N2 and a molecular weight of 764.97 g/mol. Its IUPAC name is 10-phenyl-3'-[3-[4-phenyl-2-(4-phenylphenyl)-2H-azet-1-yl]phenyl]spiro[acridine-9,9'-fluorene].

Molecular Properties

Compound Name10-phenyl-3'-[3-[4-phenyl-2-(4-phenylphenyl)-2H-azet-1-yl]phenyl]spiro[acridine-9,9'-fluorene]
PubChem CID129263285
Molecular FormulaC58H40N2
Molecular Weight764.97 g/mol
Exact Mass764.32
IUPAC Name10-phenyl-3'-[3-[4-phenyl-2-(4-phenylphenyl)-2H-azet-1-yl]phenyl]spiro[acridine-9,9'-fluorene]
SMILESC1=C(c2ccccc2)N(c2cccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)c2)C1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C58H40N2/c1-4-17-40(18-5-1)41-31-33-43(34-32-41)57-39-56(42-19-6-2-7-20-42)60(57)47-24-16-21-44(37-47)45-35-36-51-49(38-45)48-25-10-11-26-50(48)58(51)52-27-12-14-29-54(52)59(46-22-8-3-9-23-46)55-30-15-13-28-53(55)58/h1-39,57H
InChIKeySWERFUQVUFFJCS-UHFFFAOYSA-N
XLogP14.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.97
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3'-[3-(4-methylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene];toluene
CID 145334426
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
9,9-dimethyl-2,7-diphenyl-10-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]acridine
CID 168750142
2'-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazinan-2-yl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263734
10-phenyl-3'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 163947918
10-phenyl-3'-[2-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 129263303
10-phenyl-3'-[4-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 137217473
10-phenyl-1'-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]
CID 135293730
10-phenyl-3-pyridin-4-ylspiro[acridine-9,9'-fluorene]
CID 146495033
10-phenyl-3'-[4-[5-(10-phenylanthracen-9-yl)-2-pyridinyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 134531017
10-phenyl-3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]
CID 139521203
2'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 139521181

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-3'-[3-[4-phenyl-2-(4-phenylphenyl)-2H-azet-1-yl]phenyl]spiro[acridine-9,9'-fluorene]?
The IUPAC name of 10-phenyl-3'-[3-[4-phenyl-2-(4-phenylphenyl)-2H-azet-1-yl]phenyl]spiro[acridine-9,9'-fluorene] (CID 129263285) is 10-phenyl-3'-[3-[4-phenyl-2-(4-phenylphenyl)-2H-azet-1-yl]phenyl]spiro[acridine-9,9'-fluorene].
What is the SMILES notation for 10-phenyl-3'-[3-[4-phenyl-2-(4-phenylphenyl)-2H-azet-1-yl]phenyl]spiro[acridine-9,9'-fluorene]?
The canonical SMILES for 10-phenyl-3'-[3-[4-phenyl-2-(4-phenylphenyl)-2H-azet-1-yl]phenyl]spiro[acridine-9,9'-fluorene] is C1=C(c2ccccc2)N(c2cccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)c2)C1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 10-phenyl-3'-[3-[4-phenyl-2-(4-phenylphenyl)-2H-azet-1-yl]phenyl]spiro[acridine-9,9'-fluorene]?
The InChIKey is SWERFUQVUFFJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N2/c1-4-17-40(18-5-1)41-31-33-43(34-32-41)57-39-56(42-19-6-2-7-20-42)60(57)47-24-16-21-44(37-47)45-35-36-51-49(38-45)48-25-10-11-26-50(48)58(51)52-27-12-14-29-54(52)59(46-22-8-3-9-23-46)55-30-15-13-28-53(55)58/h1-39,57H.
What are the key properties of 10-phenyl-3'-[3-[4-phenyl-2-(4-phenylphenyl)-2H-azet-1-yl]phenyl]spiro[acridine-9,9'-fluorene]?
10-phenyl-3'-[3-[4-phenyl-2-(4-phenylphenyl)-2H-azet-1-yl]phenyl]spiro[acridine-9,9'-fluorene] has a molecular weight of 764.97 g/mol, XLogP of 14.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-3'-[3-[4-phenyl-2-(4-phenylphenyl)-2H-azet-1-yl]phenyl]spiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 129263285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).