N-(4-dibenzofuran-4-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[h]fluoren-1-amine

C57H39NO — CID 164774734

IUPACN-(4-dibenzofuran-4-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[h]fluoren-1-amine
SMILESCC1(C)c2cc3ccccc3cc2-c2cccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4ccccc4c3-c3cccc4ccccc34)c21
InChIInChI=1S/C57H39NO/c1-57(2)50-35-40-17-4-3-16-39(40)34-49(50)47-24-13-26-52(55(47)57)58(41-31-28-38(29-32-41)44-22-12-25-48-45-21-9-10-27-53(45)59-56(44)48)51-33-30-37-15-6-8-20-43(37)54(51)46-23-11-18-36-14-5-7-19-42(36)46/h3-35H,1-2H3
InChIKeyLKQIKCJJEYUNBN-UHFFFAOYSA-N
MW753.95 g/mol
LogP16.16
Rot. Bonds5

About N-(4-dibenzofuran-4-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[h]fluoren-1-amine

N-(4-dibenzofuran-4-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[h]fluoren-1-amine (PubChem CID 164774734) has the molecular formula C57H39NO and a molecular weight of 753.95 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[h]fluoren-1-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[h]fluoren-1-amine
PubChem CID164774734
Molecular FormulaC57H39NO
Molecular Weight753.95 g/mol
Exact Mass753.30
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[h]fluoren-1-amine
SMILESCC1(C)c2cc3ccccc3cc2-c2cccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4ccccc4c3-c3cccc4ccccc34)c21
InChIInChI=1S/C57H39NO/c1-57(2)50-35-40-17-4-3-16-39(40)34-49(50)47-24-13-26-52(55(47)57)58(41-31-28-38(29-32-41)44-22-12-25-48-45-21-9-10-27-53(45)59-56(44)48)51-33-30-37-15-6-8-20-43(37)54(51)46-23-11-18-36-14-5-7-19-42(36)46/h3-35H,1-2H3
InChIKeyLKQIKCJJEYUNBN-UHFFFAOYSA-N
XLogP16.16
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.95
LogP ≤ 516.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-tert-butylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-11,11-dimethylbenzo[b]fluoren-2-amine
CID 168802469
11,11-dimethyl-N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[h]fluoren-1-amine;11,11-dimethyl-N-naphthalen-2-yl-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[h]fluoren-1-amine;11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-phenanthren-9-ylbenzo[h]fluoren-1-amine
CID 165005317
N-(4-dibenzofuran-2-ylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-4-amine
CID 164774401
N-(9,9-dimethylfluoren-1-yl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-4-amine
CID 166938750
11,11-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[b]fluoren-2-amine
CID 164774822
N-(4-dibenzofuran-4-ylphenyl)-N-(2-naphthalen-1-ylphenyl)-2-(4-naphthalen-2-ylphenyl)aniline
CID 155374481
N-(2-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-1-amine
CID 167325077
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 154960896
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-naphthalen-2-ylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-phenylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-7-phenylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-7-phenylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 161150282
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121422616
N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-dimethylfluoren-3-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168840185
N-(7,7-dimethyl-1-phenanthren-9-ylbenzo[a]phenalen-8-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167232265

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[h]fluoren-1-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[h]fluoren-1-amine (CID 164774734) is N-(4-dibenzofuran-4-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[h]fluoren-1-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[h]fluoren-1-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[h]fluoren-1-amine is CC1(C)c2cc3ccccc3cc2-c2cccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4ccccc4c3-c3cccc4ccccc34)c21.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[h]fluoren-1-amine?
The InChIKey is LKQIKCJJEYUNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39NO/c1-57(2)50-35-40-17-4-3-16-39(40)34-49(50)47-24-13-26-52(55(47)57)58(41-31-28-38(29-32-41)44-22-12-25-48-45-21-9-10-27-53(45)59-56(44)48)51-33-30-37-15-6-8-20-43(37)54(51)46-23-11-18-36-14-5-7-19-42(36)46/h3-35H,1-2H3.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[h]fluoren-1-amine?
N-(4-dibenzofuran-4-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[h]fluoren-1-amine has a molecular weight of 753.95 g/mol, XLogP of 16.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-11,11-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)benzo[h]fluoren-1-amine is sourced from PubChem (CID 164774734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).