10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-2-phenylacridine

C45H33NO — CID 71003986

IUPAC10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-2-phenylacridine
SMILESCC1(C)c2ccccc2N(c2cccc(-c3cccc(-c4ccc5oc6ccccc6c5c4)c3)c2)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C45H33NO/c1-45(2)39-19-7-8-20-41(39)46(42-24-22-35(29-40(42)45)30-12-4-3-5-13-30)36-17-11-16-33(27-36)31-14-10-15-32(26-31)34-23-25-44-38(28-34)37-18-6-9-21-43(37)47-44/h3-29H,1-2H3
InChIKeyPCHCEFQXFDZXOJ-UHFFFAOYSA-N
MW603.77 g/mol
LogP12.70
Rot. Bonds4

About 10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-2-phenylacridine

10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-2-phenylacridine (PubChem CID 71003986) has the molecular formula C45H33NO and a molecular weight of 603.77 g/mol. Its IUPAC name is 10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-2-phenylacridine.

Molecular Properties

Compound Name10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-2-phenylacridine
PubChem CID71003986
Molecular FormulaC45H33NO
Molecular Weight603.77 g/mol
Exact Mass603.26
IUPAC Name10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-2-phenylacridine
SMILESCC1(C)c2ccccc2N(c2cccc(-c3cccc(-c4ccc5oc6ccccc6c5c4)c3)c2)c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C45H33NO/c1-45(2)39-19-7-8-20-41(39)46(42-24-22-35(29-40(42)45)30-12-4-3-5-13-30)36-17-11-16-33(27-36)31-14-10-15-32(26-31)34-23-25-44-38(28-34)37-18-6-9-21-43(37)47-44/h3-29H,1-2H3
InChIKeyPCHCEFQXFDZXOJ-UHFFFAOYSA-N
XLogP12.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.77
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(10-dibenzofuran-2-yl-9,9-dimethylacridin-2-yl)-9,9-dimethyl-10-phenylacridine
CID 70936026
2-dibenzofuran-2-yl-10-[4-(4-fluorophenyl)phenyl]-9,9-dimethyl-7-phenylacridine
CID 71003823
N,N-bis[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]dibenzofuran-3-amine
CID 122425331
2-phenyl-7-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)xanthen-9-one
CID 168812429
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethyl-10-phenylacridine
CID 118472949
2-dibenzofuran-4-yl-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine
CID 70936203
17-dibenzofuran-2-yl-21-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene
CID 144635189
10-[8-[2-[8-(9,9-dimethylacridin-10-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9,9-dimethylacridine
CID 90352239
10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-2,7-diphenylacridine
CID 71003882
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007166
10-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)phenoxazine
CID 145009575
2-(9,9-dimethylthioxanthen-2-yl)-9,9-dimethyl-10-(3-phenylphenyl)acridine
CID 142356251

Frequently Asked Questions

What is the IUPAC name of 10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-2-phenylacridine?
The IUPAC name of 10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-2-phenylacridine (CID 71003986) is 10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-2-phenylacridine.
What is the SMILES notation for 10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-2-phenylacridine?
The canonical SMILES for 10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-2-phenylacridine is CC1(C)c2ccccc2N(c2cccc(-c3cccc(-c4ccc5oc6ccccc6c5c4)c3)c2)c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-2-phenylacridine?
The InChIKey is PCHCEFQXFDZXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33NO/c1-45(2)39-19-7-8-20-41(39)46(42-24-22-35(29-40(42)45)30-12-4-3-5-13-30)36-17-11-16-33(27-36)31-14-10-15-32(26-31)34-23-25-44-38(28-34)37-18-6-9-21-43(37)47-44/h3-29H,1-2H3.
What are the key properties of 10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-2-phenylacridine?
10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-2-phenylacridine has a molecular weight of 603.77 g/mol, XLogP of 12.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-2-phenylacridine is sourced from PubChem (CID 71003986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).