2,2',3,3',4'-pentamethyl-10-phenylspiro[acridine-9,9'-fluorene]

C36H31N — CID 158331744

IUPAC2,2',3,3',4'-pentamethyl-10-phenylspiro[acridine-9,9'-fluorene]
SMILESCc1cc2c(cc1C)C1(c3ccccc3-c3c1cc(C)c(C)c3C)c1ccccc1N2c1ccccc1
InChIInChI=1S/C36H31N/c1-22-19-31-34(21-23(22)2)37(27-13-7-6-8-14-27)33-18-12-11-17-30(33)36(31)29-16-10-9-15-28(29)35-26(5)25(4)24(3)20-32(35)36/h6-21H,1-5H3
InChIKeyRKTLXVBVRIZCPF-UHFFFAOYSA-N
MW477.65 g/mol
LogP9.38
Rot. Bonds1

About 2,2',3,3',4'-pentamethyl-10-phenylspiro[acridine-9,9'-fluorene]

2,2',3,3',4'-pentamethyl-10-phenylspiro[acridine-9,9'-fluorene] (PubChem CID 158331744) has the molecular formula C36H31N and a molecular weight of 477.65 g/mol. Its IUPAC name is 2,2',3,3',4'-pentamethyl-10-phenylspiro[acridine-9,9'-fluorene].

Molecular Properties

Compound Name2,2',3,3',4'-pentamethyl-10-phenylspiro[acridine-9,9'-fluorene]
PubChem CID158331744
Molecular FormulaC36H31N
Molecular Weight477.65 g/mol
Exact Mass477.25
IUPAC Name2,2',3,3',4'-pentamethyl-10-phenylspiro[acridine-9,9'-fluorene]
SMILESCc1cc2c(cc1C)C1(c3ccccc3-c3c1cc(C)c(C)c3C)c1ccccc1N2c1ccccc1
InChIInChI=1S/C36H31N/c1-22-19-31-34(21-23(22)2)37(27-13-7-6-8-14-27)33-18-12-11-17-30(33)36(31)29-16-10-9-15-28(29)35-26(5)25(4)24(3)20-32(35)36/h6-21H,1-5H3
InChIKeyRKTLXVBVRIZCPF-UHFFFAOYSA-N
XLogP9.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.65
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2',3,3',4'-pentamethyl-10-phenylspiro[acridine-9,9'-fluorene] with MolForge

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Related Compounds

2',3',4',16,17-pentamethylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]
CID 158331743
9,9-bis(2-methylphenyl)-10-phenylacridine
CID 59470095
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
3-benzyl-10-phenylspiro[acridine-9,9'-fluorene]
CID 158758240
N,N,10-triphenylspiro[acridine-9,9'-fluorene]-4'-amine
CID 134309245
10-phenyl-2-(9-phenylthioxanthen-9-yl)spiro[acridine-9,9'-fluorene]
CID 140899042
3'-[3-(4-methylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene];toluene
CID 145334426
10'-[3-methyl-4-(2-methylphenyl)phenyl]-2,2'-diphenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465139
4'-[10-(4,5-diphenylanthracen-9-yl)-8-(10-phenylspiro[acridine-9,9'-fluorene]-4'-yl)anthracen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 155333996
10-phenyl-3-pyridin-4-ylspiro[acridine-9,9'-fluorene]
CID 146495033
4'-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 146495788
N-(9,9-dimethylfluoren-2-yl)-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 134309240

Frequently Asked Questions

What is the IUPAC name of 2,2',3,3',4'-pentamethyl-10-phenylspiro[acridine-9,9'-fluorene]?
The IUPAC name of 2,2',3,3',4'-pentamethyl-10-phenylspiro[acridine-9,9'-fluorene] (CID 158331744) is 2,2',3,3',4'-pentamethyl-10-phenylspiro[acridine-9,9'-fluorene].
What is the SMILES notation for 2,2',3,3',4'-pentamethyl-10-phenylspiro[acridine-9,9'-fluorene]?
The canonical SMILES for 2,2',3,3',4'-pentamethyl-10-phenylspiro[acridine-9,9'-fluorene] is Cc1cc2c(cc1C)C1(c3ccccc3-c3c1cc(C)c(C)c3C)c1ccccc1N2c1ccccc1.
What is the InChIKey of 2,2',3,3',4'-pentamethyl-10-phenylspiro[acridine-9,9'-fluorene]?
The InChIKey is RKTLXVBVRIZCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31N/c1-22-19-31-34(21-23(22)2)37(27-13-7-6-8-14-27)33-18-12-11-17-30(33)36(31)29-16-10-9-15-28(29)35-26(5)25(4)24(3)20-32(35)36/h6-21H,1-5H3.
What are the key properties of 2,2',3,3',4'-pentamethyl-10-phenylspiro[acridine-9,9'-fluorene]?
2,2',3,3',4'-pentamethyl-10-phenylspiro[acridine-9,9'-fluorene] has a molecular weight of 477.65 g/mol, XLogP of 9.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2',3,3',4'-pentamethyl-10-phenylspiro[acridine-9,9'-fluorene] is sourced from PubChem (CID 158331744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).