3'-[3-(4-methylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene];toluene

C58H47N — CID 145334426

IUPAC3'-[3-(4-methylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene];toluene
SMILESCc1ccc(-c2cccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)c2)cc1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C44H31N.2C7H8/c1-30-22-24-31(25-23-30)32-12-11-13-33(28-32)34-26-27-39-37(29-34)36-16-5-6-17-38(36)44(39)40-18-7-9-20-42(40)45(35-14-3-2-4-15-35)43-21-10-8-19-41(43)44;2*1-7-5-3-2-4-6-7/h2-29H,1H3;2*2-6H,1H3
InChIKeyXFXQAPGCPYRHKD-UHFFFAOYSA-N
MW758.02 g/mol
LogP15.47
Rot. Bonds3

About 3'-[3-(4-methylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene];toluene

3'-[3-(4-methylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene];toluene (PubChem CID 145334426) has the molecular formula C58H47N and a molecular weight of 758.02 g/mol. Its IUPAC name is 3'-[3-(4-methylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene];toluene.

Molecular Properties

Compound Name3'-[3-(4-methylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene];toluene
PubChem CID145334426
Molecular FormulaC58H47N
Molecular Weight758.02 g/mol
Exact Mass757.37
IUPAC Name3'-[3-(4-methylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene];toluene
SMILESCc1ccc(-c2cccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)c2)cc1.Cc1ccccc1.Cc1ccccc1
InChIInChI=1S/C44H31N.2C7H8/c1-30-22-24-31(25-23-30)32-12-11-13-33(28-32)34-26-27-39-37(29-34)36-16-5-6-17-38(36)44(39)40-18-7-9-20-42(40)45(35-14-3-2-4-15-35)43-21-10-8-19-41(43)44;2*1-7-5-3-2-4-6-7/h2-29H,1H3;2*2-6H,1H3
InChIKeyXFXQAPGCPYRHKD-UHFFFAOYSA-N
XLogP15.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.02
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-3-imino-1-(4-phenylphenyl)-3-[3-[3-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)phenyl]phenyl]prop-1-en-1-amine;toluene
CID 145334582
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
10-phenyl-3'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[acridine-9,9'-fluorene]
CID 163947918
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'-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-phenylspiro[acridine-9,9'-fluorene];2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-2'-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene];10-phenyl-2'-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene];10-phenyl-2'-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene];10-phenyl-2'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[acridine-9,9'-fluorene]
CID 161230915
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
2'-[3-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263735
2'-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 167176793
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'-[3-[4-phenyl-2-(4-phenylphenyl)-2H-azet-1-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 129263285

Frequently Asked Questions

What is the IUPAC name of 3'-[3-(4-methylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene];toluene?
The IUPAC name of 3'-[3-(4-methylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene];toluene (CID 145334426) is 3'-[3-(4-methylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene];toluene.
What is the SMILES notation for 3'-[3-(4-methylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene];toluene?
The canonical SMILES for 3'-[3-(4-methylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene];toluene is Cc1ccc(-c2cccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)c2)cc1.Cc1ccccc1.Cc1ccccc1.
What is the InChIKey of 3'-[3-(4-methylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene];toluene?
The InChIKey is XFXQAPGCPYRHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N.2C7H8/c1-30-22-24-31(25-23-30)32-12-11-13-33(28-32)34-26-27-39-37(29-34)36-16-5-6-17-38(36)44(39)40-18-7-9-20-42(40)45(35-14-3-2-4-15-35)43-21-10-8-19-41(43)44;2*1-7-5-3-2-4-6-7/h2-29H,1H3;2*2-6H,1H3.
What are the key properties of 3'-[3-(4-methylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene];toluene?
3'-[3-(4-methylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene];toluene has a molecular weight of 758.02 g/mol, XLogP of 15.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[3-(4-methylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene];toluene is sourced from PubChem (CID 145334426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).