N-(2,5-diphenylphenyl)-N-(1,1,3,3-tetramethylspiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-yl)dibenzofuran-1-amine

C54H47NO — CID 169029963

IUPACN-(2,5-diphenylphenyl)-N-(1,1,3,3-tetramethylspiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-yl)dibenzofuran-1-amine
SMILESCC1(C)CC(C)(C)c2cc3c(cc21)-c1c(N(c2cc(-c4ccccc4)ccc2-c2ccccc2)c2cccc4oc5ccccc5c24)cccc1C31CCCC1
InChIInChI=1S/C54H47NO/c1-52(2)34-53(3,4)44-33-42-40(32-43(44)52)50-41(54(42)29-13-14-30-54)22-15-23-45(50)55(46-24-16-26-49-51(46)39-21-11-12-25-48(39)56-49)47-31-37(35-17-7-5-8-18-35)27-28-38(47)36-19-9-6-10-20-36/h5-12,15-28,31-33H,13-14,29-30,34H2,1-4H3
InChIKeyCCEMDMZSPRXBPH-UHFFFAOYSA-N
MW725.98 g/mol
LogP15.19
Rot. Bonds5

About N-(2,5-diphenylphenyl)-N-(1,1,3,3-tetramethylspiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-yl)dibenzofuran-1-amine

N-(2,5-diphenylphenyl)-N-(1,1,3,3-tetramethylspiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-yl)dibenzofuran-1-amine (PubChem CID 169029963) has the molecular formula C54H47NO and a molecular weight of 725.98 g/mol. Its IUPAC name is N-(2,5-diphenylphenyl)-N-(1,1,3,3-tetramethylspiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(2,5-diphenylphenyl)-N-(1,1,3,3-tetramethylspiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-yl)dibenzofuran-1-amine
PubChem CID169029963
Molecular FormulaC54H47NO
Molecular Weight725.98 g/mol
Exact Mass725.37
IUPAC NameN-(2,5-diphenylphenyl)-N-(1,1,3,3-tetramethylspiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-yl)dibenzofuran-1-amine
SMILESCC1(C)CC(C)(C)c2cc3c(cc21)-c1c(N(c2cc(-c4ccccc4)ccc2-c2ccccc2)c2cccc4oc5ccccc5c24)cccc1C31CCCC1
InChIInChI=1S/C54H47NO/c1-52(2)34-53(3,4)44-33-42-40(32-43(44)52)50-41(54(42)29-13-14-30-54)22-15-23-45(50)55(46-24-16-26-49-51(46)39-21-11-12-25-48(39)56-49)47-31-37(35-17-7-5-8-18-35)27-28-38(47)36-19-9-6-10-20-36/h5-12,15-28,31-33H,13-14,29-30,34H2,1-4H3
InChIKeyCCEMDMZSPRXBPH-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)-1,1,3,3-tetramethyl-N-(4-phenylphenyl)spiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-amine
CID 169029878
N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 169039822
N-(9,9-dimethylfluoren-4-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)dibenzofuran-1-amine
CID 138484780
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168788461
N-[2-[2-(2-phenylphenyl)phenyl]phenyl]-N-spiro[cyclopentane-1,9'-fluorene]-2'-yldibenzofuran-3-amine
CID 170119125
N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 168790854
N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 167285328
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-4'-amine
CID 170117213
N-dibenzofuran-1-yl-N-(9,9-dimethyl-1-phenylfluoren-2-yl)dibenzofuran-1-amine
CID 169223637
N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylphenyl)dibenzofuran-1-amine
CID 130264392
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)naphthalen-1-amine;7'-dibenzofuran-2-yl-N,N-bis[4-(4-phenylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine;7-dibenzofuran-2-yl-9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 161365609
N-(9,9-dimethylfluoren-1-yl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069590

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diphenylphenyl)-N-(1,1,3,3-tetramethylspiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-yl)dibenzofuran-1-amine?
The IUPAC name of N-(2,5-diphenylphenyl)-N-(1,1,3,3-tetramethylspiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-yl)dibenzofuran-1-amine (CID 169029963) is N-(2,5-diphenylphenyl)-N-(1,1,3,3-tetramethylspiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-(2,5-diphenylphenyl)-N-(1,1,3,3-tetramethylspiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-yl)dibenzofuran-1-amine?
The canonical SMILES for N-(2,5-diphenylphenyl)-N-(1,1,3,3-tetramethylspiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-yl)dibenzofuran-1-amine is CC1(C)CC(C)(C)c2cc3c(cc21)-c1c(N(c2cc(-c4ccccc4)ccc2-c2ccccc2)c2cccc4oc5ccccc5c24)cccc1C31CCCC1.
What is the InChIKey of N-(2,5-diphenylphenyl)-N-(1,1,3,3-tetramethylspiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-yl)dibenzofuran-1-amine?
The InChIKey is CCEMDMZSPRXBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H47NO/c1-52(2)34-53(3,4)44-33-42-40(32-43(44)52)50-41(54(42)29-13-14-30-54)22-15-23-45(50)55(46-24-16-26-49-51(46)39-21-11-12-25-48(39)56-49)47-31-37(35-17-7-5-8-18-35)27-28-38(47)36-19-9-6-10-20-36/h5-12,15-28,31-33H,13-14,29-30,34H2,1-4H3.
What are the key properties of N-(2,5-diphenylphenyl)-N-(1,1,3,3-tetramethylspiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-yl)dibenzofuran-1-amine?
N-(2,5-diphenylphenyl)-N-(1,1,3,3-tetramethylspiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-yl)dibenzofuran-1-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-(2,5-diphenylphenyl)-N-(1,1,3,3-tetramethylspiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-yl)dibenzofuran-1-amine is sourced from PubChem (CID 169029963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).