N-dibenzofuran-3-yl-N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]dibenzofuran-3-amine

C58H39NO2 — CID 140919912

IUPACN-dibenzofuran-3-yl-N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]dibenzofuran-3-amine
SMILESCC1(C)c2cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3ccccc34)ccc2-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C58H39NO2/c1-57(2)51-32-37(58(36-14-4-3-5-15-36)49-20-10-6-16-41(49)42-17-7-11-21-50(42)58)24-28-43(51)44-29-25-38(33-52(44)57)59(39-26-30-47-45-18-8-12-22-53(45)60-55(47)34-39)40-27-31-48-46-19-9-13-23-54(46)61-56(48)35-40/h3-35H,1-2H3
InChIKeyCQWQSMMGKHGRGC-UHFFFAOYSA-N
MW781.95 g/mol
LogP15.62
Rot. Bonds5

About N-dibenzofuran-3-yl-N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]dibenzofuran-3-amine

N-dibenzofuran-3-yl-N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]dibenzofuran-3-amine (PubChem CID 140919912) has the molecular formula C58H39NO2 and a molecular weight of 781.95 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]dibenzofuran-3-amine
PubChem CID140919912
Molecular FormulaC58H39NO2
Molecular Weight781.95 g/mol
Exact Mass781.30
IUPAC NameN-dibenzofuran-3-yl-N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]dibenzofuran-3-amine
SMILESCC1(C)c2cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3ccccc34)ccc2-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C58H39NO2/c1-57(2)51-32-37(58(36-14-4-3-5-15-36)49-20-10-6-16-41(49)42-17-7-11-21-50(42)58)24-28-43(51)44-29-25-38(33-52(44)57)59(39-26-30-47-45-18-8-12-22-53(45)60-55(47)34-39)40-27-31-48-46-19-9-13-23-54(46)61-56(48)35-40/h3-35H,1-2H3
InChIKeyCQWQSMMGKHGRGC-UHFFFAOYSA-N
XLogP15.62
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.95
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[8-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]phenyl]dibenzofuran-3-amine
CID 163494653
3-N-dibenzofuran-1-yl-1-N-dibenzofuran-3-yl-1-N-(9,9-dimethylfluoren-2-yl)-3-N-(9,9-diphenylfluoren-2-yl)benzene-1,3-diamine
CID 155312876
N-[9,9-dimethyl-7-(9-methylfluoren-9-yl)fluoren-2-yl]-N-phenyldibenzofuran-3-amine
CID 140919877
N-dibenzofuran-3-yl-N-[9,9-diphenyl-6-(9-phenylfluoren-9-yl)fluoren-3-yl]dibenzofuran-3-amine
CID 140919850
N-(9,9-dimethylfluoren-2-yl)-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 163926045
3-N-dibenzofuran-1-yl-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 147012839
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 67964095
N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N,9,9-triphenylfluoren-2-amine
CID 134452942
N-(9,9-dimethylfluoren-2-yl)-7-[7-[N-(9,9-dimethylfluoren-2-yl)-4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)anilino]-9,9-dimethylfluoren-2-yl]-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-3-amine
CID 146540137
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-7-[9-(3-phenylphenyl)fluoren-9-yl]dibenzofuran-3-amine;N-phenyl-N-(4-phenylphenyl)-3-[7-[9-(3-phenylphenyl)fluoren-9-yl]dibenzofuran-3-yl]aniline
CID 163450509
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-3-amine
CID 171453577
N,N-bis(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine
CID 169022042

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]dibenzofuran-3-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]dibenzofuran-3-amine (CID 140919912) is N-dibenzofuran-3-yl-N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]dibenzofuran-3-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]dibenzofuran-3-amine is CC1(C)c2cc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)oc3ccccc34)ccc2-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of N-dibenzofuran-3-yl-N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]dibenzofuran-3-amine?
The InChIKey is CQWQSMMGKHGRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO2/c1-57(2)51-32-37(58(36-14-4-3-5-15-36)49-20-10-6-16-41(49)42-17-7-11-21-50(42)58)24-28-43(51)44-29-25-38(33-52(44)57)59(39-26-30-47-45-18-8-12-22-53(45)60-55(47)34-39)40-27-31-48-46-19-9-13-23-54(46)61-56(48)35-40/h3-35H,1-2H3.
What are the key properties of N-dibenzofuran-3-yl-N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]dibenzofuran-3-amine?
N-dibenzofuran-3-yl-N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]dibenzofuran-3-amine has a molecular weight of 781.95 g/mol, XLogP of 15.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-[9,9-dimethyl-7-(9-phenylfluoren-9-yl)fluoren-2-yl]dibenzofuran-3-amine is sourced from PubChem (CID 140919912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).