10-phenyl-1'-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]

C49H33N — CID 135293730

IUPAC10-phenyl-1'-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]
SMILESc1ccc(-c2ccc(-c3ccc(-c4cccc5c4C4(c6ccccc6-5)c5ccccc5N(c5ccccc5)c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C49H33N/c1-3-14-34(15-4-1)35-26-28-36(29-27-35)37-30-32-38(33-31-37)40-19-13-20-42-41-18-7-8-21-43(41)49(48(40)42)44-22-9-11-24-46(44)50(39-16-5-2-6-17-39)47-25-12-10-23-45(47)49/h1-33H
InChIKeyVODRBZZIQUTXAL-UHFFFAOYSA-N
MW635.81 g/mol
LogP12.83
Rot. Bonds4

About 10-phenyl-1'-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]

10-phenyl-1'-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene] (PubChem CID 135293730) has the molecular formula C49H33N and a molecular weight of 635.81 g/mol. Its IUPAC name is 10-phenyl-1'-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene].

Molecular Properties

Compound Name10-phenyl-1'-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]
PubChem CID135293730
Molecular FormulaC49H33N
Molecular Weight635.81 g/mol
Exact Mass635.26
IUPAC Name10-phenyl-1'-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]
SMILESc1ccc(-c2ccc(-c3ccc(-c4cccc5c4C4(c6ccccc6-5)c5ccccc5N(c5ccccc5)c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C49H33N/c1-3-14-34(15-4-1)35-26-28-36(29-27-35)37-30-32-38(33-31-37)40-19-13-20-42-41-18-7-8-21-43(41)49(48(40)42)44-22-9-11-24-46(44)50(39-16-5-2-6-17-39)47-25-12-10-23-45(47)49/h1-33H
InChIKeyVODRBZZIQUTXAL-UHFFFAOYSA-N
XLogP12.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.81
LogP ≤ 512.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1'-(4-diphenylphosphorylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]
CID 140910449
4-(10-phenylspiro[acridine-9,9'-fluorene]-1'-yl)benzonitrile
CID 140910428
1'-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 167178072
10-phenyl-1'-[6-(10-phenylanthracen-9-yl)-3-pyridinyl]spiro[acridine-9,9'-fluorene]
CID 142353689
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
4',10-diphenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine]
CID 118372549
3'-[3-(4-methylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene];toluene
CID 145334426
1'-[3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 167177028
10-phenyl-3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]
CID 139521203
1'-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]
CID 140910464
2'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 139521181
10-phenyl-2'-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-2'-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 160589680

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-1'-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]?
The IUPAC name of 10-phenyl-1'-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene] (CID 135293730) is 10-phenyl-1'-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene].
What is the SMILES notation for 10-phenyl-1'-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]?
The canonical SMILES for 10-phenyl-1'-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene] is c1ccc(-c2ccc(-c3ccc(-c4cccc5c4C4(c6ccccc6-5)c5ccccc5N(c5ccccc5)c5ccccc54)cc3)cc2)cc1.
What is the InChIKey of 10-phenyl-1'-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]?
The InChIKey is VODRBZZIQUTXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N/c1-3-14-34(15-4-1)35-26-28-36(29-27-35)37-30-32-38(33-31-37)40-19-13-20-42-41-18-7-8-21-43(41)49(48(40)42)44-22-9-11-24-46(44)50(39-16-5-2-6-17-39)47-25-12-10-23-45(47)49/h1-33H.
What are the key properties of 10-phenyl-1'-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]?
10-phenyl-1'-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene] has a molecular weight of 635.81 g/mol, XLogP of 12.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-1'-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 135293730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).