N-[4-(11-dibenzofuran-4-ylbenzo[b]fluoren-11-yl)phenyl]-4-(7,8-dihydronaphthalen-1-yl)-N-phenylaniline

C57H39NO — CID 118145847

IUPACN-[4-(11-dibenzofuran-4-ylbenzo[b]fluoren-11-yl)phenyl]-4-(7,8-dihydronaphthalen-1-yl)-N-phenylaniline
SMILESC1=Cc2cccc(-c3ccc(N(c4ccccc4)c4ccc(C5(c6cccc7c6oc6ccccc67)c6ccccc6-c6cc7ccccc7cc65)cc4)cc3)c2CC1
InChIInChI=1S/C57H39NO/c1-2-18-43(19-3-1)58(44-32-28-39(29-33-44)47-23-12-17-38-14-6-7-20-46(38)47)45-34-30-42(31-35-45)57(53-26-13-24-50-49-22-9-11-27-55(49)59-56(50)53)52-25-10-8-21-48(52)51-36-40-15-4-5-16-41(40)37-54(51)57/h1-6,8-19,21-37H,7,20H2
InChIKeyUCJYETGRVQCAGW-UHFFFAOYSA-N
MW753.95 g/mol
LogP15.20
Rot. Bonds6

About N-[4-(11-dibenzofuran-4-ylbenzo[b]fluoren-11-yl)phenyl]-4-(7,8-dihydronaphthalen-1-yl)-N-phenylaniline

N-[4-(11-dibenzofuran-4-ylbenzo[b]fluoren-11-yl)phenyl]-4-(7,8-dihydronaphthalen-1-yl)-N-phenylaniline (PubChem CID 118145847) has the molecular formula C57H39NO and a molecular weight of 753.95 g/mol. Its IUPAC name is N-[4-(11-dibenzofuran-4-ylbenzo[b]fluoren-11-yl)phenyl]-4-(7,8-dihydronaphthalen-1-yl)-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(11-dibenzofuran-4-ylbenzo[b]fluoren-11-yl)phenyl]-4-(7,8-dihydronaphthalen-1-yl)-N-phenylaniline
PubChem CID118145847
Molecular FormulaC57H39NO
Molecular Weight753.95 g/mol
Exact Mass753.30
IUPAC NameN-[4-(11-dibenzofuran-4-ylbenzo[b]fluoren-11-yl)phenyl]-4-(7,8-dihydronaphthalen-1-yl)-N-phenylaniline
SMILESC1=Cc2cccc(-c3ccc(N(c4ccccc4)c4ccc(C5(c6cccc7c6oc6ccccc67)c6ccccc6-c6cc7ccccc7cc65)cc4)cc3)c2CC1
InChIInChI=1S/C57H39NO/c1-2-18-43(19-3-1)58(44-32-28-39(29-33-44)47-23-12-17-38-14-6-7-20-46(38)47)45-34-30-42(31-35-45)57(53-26-13-24-50-49-22-9-11-27-55(49)59-56(50)53)52-25-10-8-21-48(52)51-36-40-15-4-5-16-41(40)37-54(51)57/h1-6,8-19,21-37H,7,20H2
InChIKeyUCJYETGRVQCAGW-UHFFFAOYSA-N
XLogP15.20
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.95
LogP ≤ 515.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9-dibenzofuran-4-yl-9-phenylfluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 122593353
N-[4-(11-dibenzofuran-4-ylbenzo[b]fluoren-11-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline;N-[4-[9-(9,9-dimethylfluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-[9-(9,9-dimethylfluoren-2-yl)fluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158241809
N-[4-(7,8-dihydronaphthalen-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)aniline
CID 129230991
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N,4-diphenylaniline
CID 164769137
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-naphthalen-2-ylfluoren-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164769036
5-(9-dibenzofuran-4-ylfluoren-9-yl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 118004741
N-(4-naphthalen-1-ylphenyl)-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169022155
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 121381438
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164768992
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 157370193
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-N-phenylaniline
CID 67964184
5-(4-dibenzofuran-4-ylphenyl)-1-N,3-N-bis(9,9-diphenylfluoren-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 122552040

Frequently Asked Questions

What is the IUPAC name of N-[4-(11-dibenzofuran-4-ylbenzo[b]fluoren-11-yl)phenyl]-4-(7,8-dihydronaphthalen-1-yl)-N-phenylaniline?
The IUPAC name of N-[4-(11-dibenzofuran-4-ylbenzo[b]fluoren-11-yl)phenyl]-4-(7,8-dihydronaphthalen-1-yl)-N-phenylaniline (CID 118145847) is N-[4-(11-dibenzofuran-4-ylbenzo[b]fluoren-11-yl)phenyl]-4-(7,8-dihydronaphthalen-1-yl)-N-phenylaniline.
What is the SMILES notation for N-[4-(11-dibenzofuran-4-ylbenzo[b]fluoren-11-yl)phenyl]-4-(7,8-dihydronaphthalen-1-yl)-N-phenylaniline?
The canonical SMILES for N-[4-(11-dibenzofuran-4-ylbenzo[b]fluoren-11-yl)phenyl]-4-(7,8-dihydronaphthalen-1-yl)-N-phenylaniline is C1=Cc2cccc(-c3ccc(N(c4ccccc4)c4ccc(C5(c6cccc7c6oc6ccccc67)c6ccccc6-c6cc7ccccc7cc65)cc4)cc3)c2CC1.
What is the InChIKey of N-[4-(11-dibenzofuran-4-ylbenzo[b]fluoren-11-yl)phenyl]-4-(7,8-dihydronaphthalen-1-yl)-N-phenylaniline?
The InChIKey is UCJYETGRVQCAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39NO/c1-2-18-43(19-3-1)58(44-32-28-39(29-33-44)47-23-12-17-38-14-6-7-20-46(38)47)45-34-30-42(31-35-45)57(53-26-13-24-50-49-22-9-11-27-55(49)59-56(50)53)52-25-10-8-21-48(52)51-36-40-15-4-5-16-41(40)37-54(51)57/h1-6,8-19,21-37H,7,20H2.
What are the key properties of N-[4-(11-dibenzofuran-4-ylbenzo[b]fluoren-11-yl)phenyl]-4-(7,8-dihydronaphthalen-1-yl)-N-phenylaniline?
N-[4-(11-dibenzofuran-4-ylbenzo[b]fluoren-11-yl)phenyl]-4-(7,8-dihydronaphthalen-1-yl)-N-phenylaniline has a molecular weight of 753.95 g/mol, XLogP of 15.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(11-dibenzofuran-4-ylbenzo[b]fluoren-11-yl)phenyl]-4-(7,8-dihydronaphthalen-1-yl)-N-phenylaniline is sourced from PubChem (CID 118145847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).