N-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-6-yl)-9,9-dimethyl-10-phenyl-N-(4-phenylphenyl)acridin-2-amine

C54H42N2O — CID 134393002

IUPACN-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-6-yl)-9,9-dimethyl-10-phenyl-N-(4-phenylphenyl)acridin-2-amine
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c(c5oc6ccccc6c35)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C54H42N2O/c1-53(2)44-24-14-15-25-46(44)56(37-19-9-6-10-20-37)47-32-31-39(33-45(47)53)55(38-29-27-36(28-30-38)35-17-7-5-8-18-35)48-34-42-40-21-11-13-23-43(40)54(3,4)51(42)52-50(48)41-22-12-16-26-49(41)57-52/h5-34H,1-4H3
InChIKeyRUUATRVUBPINDH-UHFFFAOYSA-N
MW734.94 g/mol
LogP15.14
Rot. Bonds5

About N-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-6-yl)-9,9-dimethyl-10-phenyl-N-(4-phenylphenyl)acridin-2-amine

N-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-6-yl)-9,9-dimethyl-10-phenyl-N-(4-phenylphenyl)acridin-2-amine (PubChem CID 134393002) has the molecular formula C54H42N2O and a molecular weight of 734.94 g/mol. Its IUPAC name is N-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-6-yl)-9,9-dimethyl-10-phenyl-N-(4-phenylphenyl)acridin-2-amine.

Molecular Properties

Compound NameN-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-6-yl)-9,9-dimethyl-10-phenyl-N-(4-phenylphenyl)acridin-2-amine
PubChem CID134393002
Molecular FormulaC54H42N2O
Molecular Weight734.94 g/mol
Exact Mass734.33
IUPAC NameN-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-6-yl)-9,9-dimethyl-10-phenyl-N-(4-phenylphenyl)acridin-2-amine
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c(c5oc6ccccc6c35)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C54H42N2O/c1-53(2)44-24-14-15-25-46(44)56(37-19-9-6-10-20-37)47-32-31-39(33-45(47)53)55(38-29-27-36(28-30-38)35-17-7-5-8-18-35)48-34-42-40-21-11-13-23-43(40)54(3,4)51(42)52-50(48)41-22-12-16-26-49(41)57-52/h5-34H,1-4H3
InChIKeyRUUATRVUBPINDH-UHFFFAOYSA-N
XLogP15.14
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.94
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 58489884
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,7,10-triphenylacridin-2-amine
CID 144559421
N-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 71126808
N-(9,9-dimethylfluoren-2-yl)-12,12-dimethyl-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-7-amine
CID 134393187
N-(9,9-dimethylfluoren-2-yl)-12-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-a]carbazol-5-amine
CID 126656552
N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166630
N,N-bis[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]dibenzofuran-3-amine
CID 122425331
9,9-dimethyl-N-[4-(10-phenylphenazin-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90120877
N-(2-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine;N-(3-dibenzofuran-4-ylphenyl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine;N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-[2-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 161417767
N-[4-(9-dibenzofuran-4-ylcarbazol-3-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 90207151
N-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069471
N-[4-[2-(9,9-dimethylacridin-10-yl)dibenzofuran-4-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 139527930

Frequently Asked Questions

What is the IUPAC name of N-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-6-yl)-9,9-dimethyl-10-phenyl-N-(4-phenylphenyl)acridin-2-amine?
The IUPAC name of N-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-6-yl)-9,9-dimethyl-10-phenyl-N-(4-phenylphenyl)acridin-2-amine (CID 134393002) is N-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-6-yl)-9,9-dimethyl-10-phenyl-N-(4-phenylphenyl)acridin-2-amine.
What is the SMILES notation for N-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-6-yl)-9,9-dimethyl-10-phenyl-N-(4-phenylphenyl)acridin-2-amine?
The canonical SMILES for N-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-6-yl)-9,9-dimethyl-10-phenyl-N-(4-phenylphenyl)acridin-2-amine is CC1(C)c2ccccc2N(c2ccccc2)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c(c5oc6ccccc6c35)C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of N-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-6-yl)-9,9-dimethyl-10-phenyl-N-(4-phenylphenyl)acridin-2-amine?
The InChIKey is RUUATRVUBPINDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N2O/c1-53(2)44-24-14-15-25-46(44)56(37-19-9-6-10-20-37)47-32-31-39(33-45(47)53)55(38-29-27-36(28-30-38)35-17-7-5-8-18-35)48-34-42-40-21-11-13-23-43(40)54(3,4)51(42)52-50(48)41-22-12-16-26-49(41)57-52/h5-34H,1-4H3.
What are the key properties of N-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-6-yl)-9,9-dimethyl-10-phenyl-N-(4-phenylphenyl)acridin-2-amine?
N-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-6-yl)-9,9-dimethyl-10-phenyl-N-(4-phenylphenyl)acridin-2-amine has a molecular weight of 734.94 g/mol, XLogP of 15.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(12,12-dimethylfluoreno[1,2-b][1]benzofuran-6-yl)-9,9-dimethyl-10-phenyl-N-(4-phenylphenyl)acridin-2-amine is sourced from PubChem (CID 134393002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).