N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-2-amine

C52H37NO — CID 167177585

IUPACN-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-2-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccc(N(c3ccccc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc21
InChIInChI=1S/C52H37NO/c1-51(2)45-21-11-12-22-46(45)52(43-19-9-6-16-39(43)40-17-7-10-20-44(40)52)47-30-29-38(33-48(47)51)53(36-14-4-3-5-15-36)37-27-24-34(25-28-37)35-26-31-50-42(32-35)41-18-8-13-23-49(41)54-50/h3-33H,1-2H3
InChIKeyQYFMXHAVUNAECT-UHFFFAOYSA-N
MW691.87 g/mol
LogP13.73
Rot. Bonds4

About N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-2-amine

N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-2-amine (PubChem CID 167177585) has the molecular formula C52H37NO and a molecular weight of 691.87 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-2-amine
PubChem CID167177585
Molecular FormulaC52H37NO
Molecular Weight691.87 g/mol
Exact Mass691.29
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-2-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccc(N(c3ccccc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc21
InChIInChI=1S/C52H37NO/c1-51(2)45-21-11-12-22-46(45)52(43-19-9-6-16-39(43)40-17-7-10-20-44(40)52)47-30-29-38(33-48(47)51)53(36-14-4-3-5-15-36)37-27-24-34(25-28-37)35-26-31-50-42(32-35)41-18-8-13-23-49(41)54-50/h3-33H,1-2H3
InChIKeyQYFMXHAVUNAECT-UHFFFAOYSA-N
XLogP13.73
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.87
LogP ≤ 513.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 146247470
N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 126538337
4-N-dibenzofuran-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 138667387
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 67964223
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964274
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964328
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
CID 129085281
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964088
N-[4-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964102
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 67964095
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 70808823
N-(3-dibenzofuran-2-ylphenyl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298560

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-2-amine?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-2-amine (CID 167177585) is N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-2-amine?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-2-amine is CC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2ccc(N(c3ccccc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc21.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-2-amine?
The InChIKey is QYFMXHAVUNAECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37NO/c1-51(2)45-21-11-12-22-46(45)52(43-19-9-6-16-39(43)40-17-7-10-20-44(40)52)47-30-29-38(33-48(47)51)53(36-14-4-3-5-15-36)37-27-24-34(25-28-37)35-26-31-50-42(32-35)41-18-8-13-23-49(41)54-50/h3-33H,1-2H3.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-2-amine?
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-2-amine has a molecular weight of 691.87 g/mol, XLogP of 13.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-2-amine is sourced from PubChem (CID 167177585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).