3-N,3-N-di(dibenzofuran-4-yl)-1-N,1-N-diphenyl-5-[11-(4-phenylphenyl)benzo[a]carbazol-9-yl]benzene-1,3-diamine

C70H45N3O2 — CID 135163558

IUPAC3-N,3-N-di(dibenzofuran-4-yl)-1-N,1-N-diphenyl-5-[11-(4-phenylphenyl)benzo[a]carbazol-9-yl]benzene-1,3-diamine
SMILESc1ccc(-c2ccc(-n3c4cc(-c5cc(N(c6ccccc6)c6ccccc6)cc(N(c6cccc7c6oc6ccccc67)c6cccc7c6oc6ccccc67)c5)ccc4c4ccc5ccccc5c43)cc2)cc1
InChIInChI=1S/C70H45N3O2/c1-4-18-46(19-5-1)47-34-38-53(39-35-47)73-65-44-49(37-40-57(65)60-41-36-48-20-10-11-25-56(48)68(60)73)50-42-54(71(51-21-6-2-7-22-51)52-23-8-3-9-24-52)45-55(43-50)72(63-30-16-28-61-58-26-12-14-32-66(58)74-69(61)63)64-31-17-29-62-59-27-13-15-33-67(59)75-70(62)64/h1-45H
InChIKeyIKLOJFLMUYEXHC-UHFFFAOYSA-N
MW960.15 g/mol
LogP20.01
Rot. Bonds9

About 3-N,3-N-di(dibenzofuran-4-yl)-1-N,1-N-diphenyl-5-[11-(4-phenylphenyl)benzo[a]carbazol-9-yl]benzene-1,3-diamine

3-N,3-N-di(dibenzofuran-4-yl)-1-N,1-N-diphenyl-5-[11-(4-phenylphenyl)benzo[a]carbazol-9-yl]benzene-1,3-diamine (PubChem CID 135163558) has the molecular formula C70H45N3O2 and a molecular weight of 960.15 g/mol. Its IUPAC name is 3-N,3-N-di(dibenzofuran-4-yl)-1-N,1-N-diphenyl-5-[11-(4-phenylphenyl)benzo[a]carbazol-9-yl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-di(dibenzofuran-4-yl)-1-N,1-N-diphenyl-5-[11-(4-phenylphenyl)benzo[a]carbazol-9-yl]benzene-1,3-diamine
PubChem CID135163558
Molecular FormulaC70H45N3O2
Molecular Weight960.15 g/mol
Exact Mass959.35
IUPAC Name3-N,3-N-di(dibenzofuran-4-yl)-1-N,1-N-diphenyl-5-[11-(4-phenylphenyl)benzo[a]carbazol-9-yl]benzene-1,3-diamine
SMILESc1ccc(-c2ccc(-n3c4cc(-c5cc(N(c6ccccc6)c6ccccc6)cc(N(c6cccc7c6oc6ccccc67)c6cccc7c6oc6ccccc67)c5)ccc4c4ccc5ccccc5c43)cc2)cc1
InChIInChI=1S/C70H45N3O2/c1-4-18-46(19-5-1)47-34-38-53(39-35-47)73-65-44-49(37-40-57(65)60-41-36-48-20-10-11-25-56(48)68(60)73)50-42-54(71(51-21-6-2-7-22-51)52-23-8-3-9-24-52)45-55(43-50)72(63-30-16-28-61-58-26-12-14-32-66(58)74-69(61)63)64-31-17-29-62-59-27-13-15-33-67(59)75-70(62)64/h1-45H
InChIKeyIKLOJFLMUYEXHC-UHFFFAOYSA-N
XLogP20.01
TPSA37.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500960.15
LogP ≤ 520.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-N,3-N-di(dibenzofuran-4-yl)-1-N,1-N-diphenyl-5-[11-(4-phenylphenyl)benzo[a]carbazol-9-yl]benzene-1,3-diamine with MolForge

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Related Compounds

N-naphthalen-1-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-4-amine
CID 168782154
N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-4-amine
CID 168781470
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 166847504
N-(4-dibenzofuran-3-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168781725
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 168781443
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 168781922
N-(3,5-diphenylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]naphthalen-1-amine
CID 168781568
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-naphthalen-2-yl-5-phenylphenyl)dibenzofuran-4-amine
CID 121329721
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 168781835
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 168782026
N-phenanthren-3-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168781636
N-[4-(3-oxa-23-azahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-1(13),2(10),4,6,8,11,14,16(24),17,19,21-undecaen-23-yl)phenyl]-N,4-diphenylaniline
CID 118545715

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-di(dibenzofuran-4-yl)-1-N,1-N-diphenyl-5-[11-(4-phenylphenyl)benzo[a]carbazol-9-yl]benzene-1,3-diamine?
The IUPAC name of 3-N,3-N-di(dibenzofuran-4-yl)-1-N,1-N-diphenyl-5-[11-(4-phenylphenyl)benzo[a]carbazol-9-yl]benzene-1,3-diamine (CID 135163558) is 3-N,3-N-di(dibenzofuran-4-yl)-1-N,1-N-diphenyl-5-[11-(4-phenylphenyl)benzo[a]carbazol-9-yl]benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N-di(dibenzofuran-4-yl)-1-N,1-N-diphenyl-5-[11-(4-phenylphenyl)benzo[a]carbazol-9-yl]benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N-di(dibenzofuran-4-yl)-1-N,1-N-diphenyl-5-[11-(4-phenylphenyl)benzo[a]carbazol-9-yl]benzene-1,3-diamine is c1ccc(-c2ccc(-n3c4cc(-c5cc(N(c6ccccc6)c6ccccc6)cc(N(c6cccc7c6oc6ccccc67)c6cccc7c6oc6ccccc67)c5)ccc4c4ccc5ccccc5c43)cc2)cc1.
What is the InChIKey of 3-N,3-N-di(dibenzofuran-4-yl)-1-N,1-N-diphenyl-5-[11-(4-phenylphenyl)benzo[a]carbazol-9-yl]benzene-1,3-diamine?
The InChIKey is IKLOJFLMUYEXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H45N3O2/c1-4-18-46(19-5-1)47-34-38-53(39-35-47)73-65-44-49(37-40-57(65)60-41-36-48-20-10-11-25-56(48)68(60)73)50-42-54(71(51-21-6-2-7-22-51)52-23-8-3-9-24-52)45-55(43-50)72(63-30-16-28-61-58-26-12-14-32-66(58)74-69(61)63)64-31-17-29-62-59-27-13-15-33-67(59)75-70(62)64/h1-45H.
What are the key properties of 3-N,3-N-di(dibenzofuran-4-yl)-1-N,1-N-diphenyl-5-[11-(4-phenylphenyl)benzo[a]carbazol-9-yl]benzene-1,3-diamine?
3-N,3-N-di(dibenzofuran-4-yl)-1-N,1-N-diphenyl-5-[11-(4-phenylphenyl)benzo[a]carbazol-9-yl]benzene-1,3-diamine has a molecular weight of 960.15 g/mol, XLogP of 20.01, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-di(dibenzofuran-4-yl)-1-N,1-N-diphenyl-5-[11-(4-phenylphenyl)benzo[a]carbazol-9-yl]benzene-1,3-diamine is sourced from PubChem (CID 135163558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).