N-(3-dibenzofuran-4-ylphenyl)-1,1,3,3-tetramethyl-N-(4-phenylphenyl)spiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-amine

C54H47NO — CID 169029878

IUPACN-(3-dibenzofuran-4-ylphenyl)-1,1,3,3-tetramethyl-N-(4-phenylphenyl)spiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-amine
SMILESCC1(C)CC(C)(C)c2cc3c(cc21)-c1c(N(c2ccc(-c4ccccc4)cc2)c2cccc(-c4cccc5c4oc4ccccc45)c2)cccc1C31CCCC1
InChIInChI=1S/C54H47NO/c1-52(2)34-53(3,4)47-33-45-43(32-46(47)52)50-44(54(45)29-10-11-30-54)22-14-23-48(50)55(38-27-25-36(26-28-38)35-15-6-5-7-16-35)39-18-12-17-37(31-39)40-20-13-21-42-41-19-8-9-24-49(41)56-51(40)42/h5-9,12-28,31-33H,10-11,29-30,34H2,1-4H3
InChIKeyUTGGNQVHBPBRMQ-UHFFFAOYSA-N
MW725.98 g/mol
LogP15.19
Rot. Bonds5

About N-(3-dibenzofuran-4-ylphenyl)-1,1,3,3-tetramethyl-N-(4-phenylphenyl)spiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-amine

N-(3-dibenzofuran-4-ylphenyl)-1,1,3,3-tetramethyl-N-(4-phenylphenyl)spiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-amine (PubChem CID 169029878) has the molecular formula C54H47NO and a molecular weight of 725.98 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-1,1,3,3-tetramethyl-N-(4-phenylphenyl)spiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-ylphenyl)-1,1,3,3-tetramethyl-N-(4-phenylphenyl)spiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-amine
PubChem CID169029878
Molecular FormulaC54H47NO
Molecular Weight725.98 g/mol
Exact Mass725.37
IUPAC NameN-(3-dibenzofuran-4-ylphenyl)-1,1,3,3-tetramethyl-N-(4-phenylphenyl)spiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-amine
SMILESCC1(C)CC(C)(C)c2cc3c(cc21)-c1c(N(c2ccc(-c4ccccc4)cc2)c2cccc(-c4cccc5c4oc4ccccc45)c2)cccc1C31CCCC1
InChIInChI=1S/C54H47NO/c1-52(2)34-53(3,4)47-33-45-43(32-46(47)52)50-44(54(45)29-10-11-30-54)22-14-23-48(50)55(38-27-25-36(26-28-38)35-15-6-5-7-16-35)39-18-12-17-37(31-39)40-20-13-21-42-41-19-8-9-24-49(41)56-51(40)42/h5-9,12-28,31-33H,10-11,29-30,34H2,1-4H3
InChIKeyUTGGNQVHBPBRMQ-UHFFFAOYSA-N
XLogP15.19
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.98
LogP ≤ 515.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine
CID 170114783
N-(2,5-diphenylphenyl)-N-(1,1,3,3-tetramethylspiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-yl)dibenzofuran-1-amine
CID 169029963
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139567835
N-(9,9-dimethylfluoren-4-yl)-N-[3-(6-phenyldibenzofuran-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 139568275
N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine
CID 170114215
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424209
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139567960
N-(3-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 135193296
N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-10-amine
CID 142515805
N-(4-dibenzofuran-4-ylphenyl)-11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine
CID 170372912
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142480974
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-1,1,3,3-tetramethyl-N-(4-phenylphenyl)spiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-amine?
The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-1,1,3,3-tetramethyl-N-(4-phenylphenyl)spiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-amine (CID 169029878) is N-(3-dibenzofuran-4-ylphenyl)-1,1,3,3-tetramethyl-N-(4-phenylphenyl)spiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-amine.
What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-1,1,3,3-tetramethyl-N-(4-phenylphenyl)spiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-amine?
The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-1,1,3,3-tetramethyl-N-(4-phenylphenyl)spiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-amine is CC1(C)CC(C)(C)c2cc3c(cc21)-c1c(N(c2ccc(-c4ccccc4)cc2)c2cccc(-c4cccc5c4oc4ccccc45)c2)cccc1C31CCCC1.
What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-1,1,3,3-tetramethyl-N-(4-phenylphenyl)spiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-amine?
The InChIKey is UTGGNQVHBPBRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H47NO/c1-52(2)34-53(3,4)47-33-45-43(32-46(47)52)50-44(54(45)29-10-11-30-54)22-14-23-48(50)55(38-27-25-36(26-28-38)35-15-6-5-7-16-35)39-18-12-17-37(31-39)40-20-13-21-42-41-19-8-9-24-49(41)56-51(40)42/h5-9,12-28,31-33H,10-11,29-30,34H2,1-4H3.
What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-1,1,3,3-tetramethyl-N-(4-phenylphenyl)spiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-amine?
N-(3-dibenzofuran-4-ylphenyl)-1,1,3,3-tetramethyl-N-(4-phenylphenyl)spiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-amine has a molecular weight of 725.98 g/mol, XLogP of 15.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-4-ylphenyl)-1,1,3,3-tetramethyl-N-(4-phenylphenyl)spiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-amine is sourced from PubChem (CID 169029878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).