N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine

C61H47NO — CID 142481358

IUPACN-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4ccc(N(c5ccc6c(c5)C(C)(C)C5C=CC=CC65)c5ccc6oc7ccccc7c6c5)cc4)cc32)c2ccccc21
InChIInChI=1S/C61H47NO/c1-59(2)49-18-8-5-15-43(49)45-33-30-42(37-55(45)59)62(41-31-34-58-48(36-41)47-17-7-14-24-57(47)63-58)40-28-25-38(26-29-40)39-27-32-46-44-16-6-9-19-50(44)61(56(46)35-39)53-22-12-10-20-51(53)60(3,4)52-21-11-13-23-54(52)61/h5-37,43,49H,1-4H3
InChIKeyRVRRDTYVQXBOIX-UHFFFAOYSA-N
MW810.05 g/mol
LogP15.84
Rot. Bonds4

About N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine

N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine (PubChem CID 142481358) has the molecular formula C61H47NO and a molecular weight of 810.05 g/mol. Its IUPAC name is N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine
PubChem CID142481358
Molecular FormulaC61H47NO
Molecular Weight810.05 g/mol
Exact Mass809.37
IUPAC NameN-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4ccc(N(c5ccc6c(c5)C(C)(C)C5C=CC=CC65)c5ccc6oc7ccccc7c6c5)cc4)cc32)c2ccccc21
InChIInChI=1S/C61H47NO/c1-59(2)49-18-8-5-15-43(49)45-33-30-42(37-55(45)59)62(41-31-34-58-48(36-41)47-17-7-14-24-57(47)63-58)40-28-25-38(26-29-40)39-27-32-46-44-16-6-9-19-50(44)61(56(46)35-39)53-22-12-10-20-51(53)60(3,4)52-21-11-13-23-54(52)61/h5-37,43,49H,1-4H3
InChIKeyRVRRDTYVQXBOIX-UHFFFAOYSA-N
XLogP15.84
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.05
LogP ≤ 515.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine with MolForge

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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-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 166820061
N-dibenzofuran-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine
CID 163804451
N-[4-[5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzofuran-2-amine
CID 167143301
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-2-amine
CID 167177585
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]triphenylen-2-amine
CID 130308913
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;7-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-2-amine;N,N,4-tris(4-dibenzofuran-2-ylphenyl)aniline
CID 158947437
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964328
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 67964095
4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline
CID 67964226
N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine
CID 166906613
N,N-bis(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine;N,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 159396574

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine?
The IUPAC name of N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine (CID 142481358) is N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine is CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(-c4ccc(N(c5ccc6c(c5)C(C)(C)C5C=CC=CC65)c5ccc6oc7ccccc7c6c5)cc4)cc32)c2ccccc21.
What is the InChIKey of N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine?
The InChIKey is RVRRDTYVQXBOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H47NO/c1-59(2)49-18-8-5-15-43(49)45-33-30-42(37-55(45)59)62(41-31-34-58-48(36-41)47-17-7-14-24-57(47)63-58)40-28-25-38(26-29-40)39-27-32-46-44-16-6-9-19-50(44)61(56(46)35-39)53-22-12-10-20-51(53)60(3,4)52-21-11-13-23-54(52)61/h5-37,43,49H,1-4H3.
What are the key properties of N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine?
N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine has a molecular weight of 810.05 g/mol, XLogP of 15.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 142481358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).