7-N-dibenzofuran-2-yl-7-N,9,9-trimethyl-2-N-phenyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine

C50H42N2O — CID 23593295

IUPAC7-N-dibenzofuran-2-yl-7-N,9,9-trimethyl-2-N-phenyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine
SMILESCc1ccc2c(c1)C(C)(C)c1cc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3cc(N(C)c5ccc6oc7ccccc7c6c5)ccc3-4)ccc1-2
InChIInChI=1S/C50H42N2O/c1-31-16-21-37-39-23-18-35(29-45(39)49(2,3)43(37)26-31)52(32-12-8-7-9-13-32)36-19-24-40-38-22-17-34(28-44(38)50(4,5)46(40)30-36)51(6)33-20-25-48-42(27-33)41-14-10-11-15-47(41)53-48/h7-30H,1-6H3
InChIKeyWVFUBHLDVSTLTC-UHFFFAOYSA-N
MW686.90 g/mol
LogP13.74
Rot. Bonds5

About 7-N-dibenzofuran-2-yl-7-N,9,9-trimethyl-2-N-phenyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine

7-N-dibenzofuran-2-yl-7-N,9,9-trimethyl-2-N-phenyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine (PubChem CID 23593295) has the molecular formula C50H42N2O and a molecular weight of 686.90 g/mol. Its IUPAC name is 7-N-dibenzofuran-2-yl-7-N,9,9-trimethyl-2-N-phenyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine.

Molecular Properties

Compound Name7-N-dibenzofuran-2-yl-7-N,9,9-trimethyl-2-N-phenyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine
PubChem CID23593295
Molecular FormulaC50H42N2O
Molecular Weight686.90 g/mol
Exact Mass686.33
IUPAC Name7-N-dibenzofuran-2-yl-7-N,9,9-trimethyl-2-N-phenyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine
SMILESCc1ccc2c(c1)C(C)(C)c1cc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3cc(N(C)c5ccc6oc7ccccc7c6c5)ccc3-4)ccc1-2
InChIInChI=1S/C50H42N2O/c1-31-16-21-37-39-23-18-35(29-45(39)49(2,3)43(37)26-31)52(32-12-8-7-9-13-32)36-19-24-40-38-22-17-34(28-44(38)50(4,5)46(40)30-36)51(6)33-20-25-48-42(27-33)41-14-10-11-15-47(41)53-48/h7-30H,1-6H3
InChIKeyWVFUBHLDVSTLTC-UHFFFAOYSA-N
XLogP13.74
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.90
LogP ≤ 513.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126705
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]fluoren-2-amine
CID 67964272
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,N-bis(4-dibenzofuran-2-ylphenyl)-4-(4-phenylphenyl)aniline;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159384887
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-dibenzofuran-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine
CID 163804451
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-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 161197514
7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(3-phenylphenyl)phenyl]fluoren-2-amine;7-dibenzofuran-2-yl-9,9-dimethyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 157073472
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
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964274

Frequently Asked Questions

What is the IUPAC name of 7-N-dibenzofuran-2-yl-7-N,9,9-trimethyl-2-N-phenyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine?
The IUPAC name of 7-N-dibenzofuran-2-yl-7-N,9,9-trimethyl-2-N-phenyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine (CID 23593295) is 7-N-dibenzofuran-2-yl-7-N,9,9-trimethyl-2-N-phenyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine.
What is the SMILES notation for 7-N-dibenzofuran-2-yl-7-N,9,9-trimethyl-2-N-phenyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine?
The canonical SMILES for 7-N-dibenzofuran-2-yl-7-N,9,9-trimethyl-2-N-phenyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine is Cc1ccc2c(c1)C(C)(C)c1cc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3cc(N(C)c5ccc6oc7ccccc7c6c5)ccc3-4)ccc1-2.
What is the InChIKey of 7-N-dibenzofuran-2-yl-7-N,9,9-trimethyl-2-N-phenyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine?
The InChIKey is WVFUBHLDVSTLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H42N2O/c1-31-16-21-37-39-23-18-35(29-45(39)49(2,3)43(37)26-31)52(32-12-8-7-9-13-32)36-19-24-40-38-22-17-34(28-44(38)50(4,5)46(40)30-36)51(6)33-20-25-48-42(27-33)41-14-10-11-15-47(41)53-48/h7-30H,1-6H3.
What are the key properties of 7-N-dibenzofuran-2-yl-7-N,9,9-trimethyl-2-N-phenyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine?
7-N-dibenzofuran-2-yl-7-N,9,9-trimethyl-2-N-phenyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine has a molecular weight of 686.90 g/mol, XLogP of 13.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-dibenzofuran-2-yl-7-N,9,9-trimethyl-2-N-phenyl-2-N-(7,9,9-trimethylfluoren-2-yl)fluorene-2,7-diamine is sourced from PubChem (CID 23593295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).