3-N,9-N-di(dibenzofuran-3-yl)-3-N,9-N,5,6-tetraphenylindolo[2,3-b]indole-3,9-diamine

C62H40N4O2 — CID 137471523

IUPAC3-N,9-N-di(dibenzofuran-3-yl)-3-N,9-N,5,6-tetraphenylindolo[2,3-b]indole-3,9-diamine
SMILESc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3c(c2)c2c4ccc(N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)cc4n(-c4ccccc4)c2n3-c2ccccc2)cc1
InChIInChI=1S/C62H40N4O2/c1-5-17-41(18-6-1)63(47-29-33-51-49-25-13-15-27-57(49)67-59(51)39-47)45-32-36-55-54(37-45)61-53-35-31-46(38-56(53)66(44-23-11-4-12-24-44)62(61)65(55)43-21-9-3-10-22-43)64(42-19-7-2-8-20-42)48-30-34-52-50-26-14-16-28-58(50)68-60(52)40-48/h1-40H
InChIKeyOODJSVVOLMQALJ-UHFFFAOYSA-N
MW873.03 g/mol
LogP17.47
Rot. Bonds8

About 3-N,9-N-di(dibenzofuran-3-yl)-3-N,9-N,5,6-tetraphenylindolo[2,3-b]indole-3,9-diamine

3-N,9-N-di(dibenzofuran-3-yl)-3-N,9-N,5,6-tetraphenylindolo[2,3-b]indole-3,9-diamine (PubChem CID 137471523) has the molecular formula C62H40N4O2 and a molecular weight of 873.03 g/mol. Its IUPAC name is 3-N,9-N-di(dibenzofuran-3-yl)-3-N,9-N,5,6-tetraphenylindolo[2,3-b]indole-3,9-diamine.

Molecular Properties

Compound Name3-N,9-N-di(dibenzofuran-3-yl)-3-N,9-N,5,6-tetraphenylindolo[2,3-b]indole-3,9-diamine
PubChem CID137471523
Molecular FormulaC62H40N4O2
Molecular Weight873.03 g/mol
Exact Mass872.32
IUPAC Name3-N,9-N-di(dibenzofuran-3-yl)-3-N,9-N,5,6-tetraphenylindolo[2,3-b]indole-3,9-diamine
SMILESc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3c(c2)c2c4ccc(N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)cc4n(-c4ccccc4)c2n3-c2ccccc2)cc1
InChIInChI=1S/C62H40N4O2/c1-5-17-41(18-6-1)63(47-29-33-51-49-25-13-15-27-57(49)67-59(51)39-47)45-32-36-55-54(37-45)61-53-35-31-46(38-56(53)66(44-23-11-4-12-24-44)62(61)65(55)43-21-9-3-10-22-43)64(42-19-7-2-8-20-42)48-30-34-52-50-26-14-16-28-58(50)68-60(52)40-48/h1-40H
InChIKeyOODJSVVOLMQALJ-UHFFFAOYSA-N
XLogP17.47
TPSA42.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.03
LogP ≤ 517.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,9-diphenyl-N-(5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19,21,23,26-dodecaen-8-yl)carbazol-2-amine
CID 170235145
N-dibenzofuran-3-yl-9-phenyl-N-triphenylen-2-ylcarbazol-2-amine
CID 166845763
N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-b]carbazol-8-amine
CID 90050696
7-N-dibenzofuran-3-yl-3-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410174
N-[3-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine;N-[4-(5,6-diphenylindolo[2,3-b]indol-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-phenanthren-9-yl-5,6-diphenyl-N-(4-phenylphenyl)indolo[2,3-b]indol-2-amine
CID 157461164
N-dibenzofuran-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814816
N-dibenzofuran-3-yl-N,6,11-triphenylbenzo[a]carbazol-8-amine
CID 174305875
N,6-di(dibenzofuran-3-yl)-N,11-diphenylbenzo[a]carbazol-9-amine
CID 174306640
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzofuran-3-amine
CID 129085164
5-[7-(N-dibenzofuran-2-ylanilino)-9-phenylcarbazol-3-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 146588588
3-N,7-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-7-N-(3-phenylphenyl)dibenzofuran-3,7-diamine
CID 170410173
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161469744

Frequently Asked Questions

What is the IUPAC name of 3-N,9-N-di(dibenzofuran-3-yl)-3-N,9-N,5,6-tetraphenylindolo[2,3-b]indole-3,9-diamine?
The IUPAC name of 3-N,9-N-di(dibenzofuran-3-yl)-3-N,9-N,5,6-tetraphenylindolo[2,3-b]indole-3,9-diamine (CID 137471523) is 3-N,9-N-di(dibenzofuran-3-yl)-3-N,9-N,5,6-tetraphenylindolo[2,3-b]indole-3,9-diamine.
What is the SMILES notation for 3-N,9-N-di(dibenzofuran-3-yl)-3-N,9-N,5,6-tetraphenylindolo[2,3-b]indole-3,9-diamine?
The canonical SMILES for 3-N,9-N-di(dibenzofuran-3-yl)-3-N,9-N,5,6-tetraphenylindolo[2,3-b]indole-3,9-diamine is c1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3c(c2)c2c4ccc(N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)cc4n(-c4ccccc4)c2n3-c2ccccc2)cc1.
What is the InChIKey of 3-N,9-N-di(dibenzofuran-3-yl)-3-N,9-N,5,6-tetraphenylindolo[2,3-b]indole-3,9-diamine?
The InChIKey is OODJSVVOLMQALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N4O2/c1-5-17-41(18-6-1)63(47-29-33-51-49-25-13-15-27-57(49)67-59(51)39-47)45-32-36-55-54(37-45)61-53-35-31-46(38-56(53)66(44-23-11-4-12-24-44)62(61)65(55)43-21-9-3-10-22-43)64(42-19-7-2-8-20-42)48-30-34-52-50-26-14-16-28-58(50)68-60(52)40-48/h1-40H.
What are the key properties of 3-N,9-N-di(dibenzofuran-3-yl)-3-N,9-N,5,6-tetraphenylindolo[2,3-b]indole-3,9-diamine?
3-N,9-N-di(dibenzofuran-3-yl)-3-N,9-N,5,6-tetraphenylindolo[2,3-b]indole-3,9-diamine has a molecular weight of 873.03 g/mol, XLogP of 17.47, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,9-N-di(dibenzofuran-3-yl)-3-N,9-N,5,6-tetraphenylindolo[2,3-b]indole-3,9-diamine is sourced from PubChem (CID 137471523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).