N-[4-[3,5-bis(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine

C80H49N3O2 — CID 121311213

IUPACN-[4-[3,5-bis(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine
SMILESc1ccc2c(-n3c4ccccc4c4cc(-c5cc(-c6ccc(N(c7ccc8c(c7)oc7ccccc78)c7ccc8c(c7)oc7ccccc78)cc6)cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7ccccc67)c5)ccc43)cccc2c1
InChIInChI=1S/C80H49N3O2/c1-3-19-61-51(15-1)17-13-27-71(61)82-73-25-9-5-21-63(73)69-46-53(33-41-75(69)82)56-43-55(44-57(45-56)54-34-42-76-70(47-54)64-22-6-10-26-74(64)83(76)72-28-14-18-52-16-2-4-20-62(52)72)50-31-35-58(36-32-50)81(59-37-39-67-65-23-7-11-29-77(65)84-79(67)48-59)60-38-40-68-66-24-8-12-30-78(66)85-80(68)49-60/h1-49H
InChIKeyODRBYOHPARNOQL-UHFFFAOYSA-N
MW1084.29 g/mol
LogP22.46
Rot. Bonds8

About N-[4-[3,5-bis(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine

N-[4-[3,5-bis(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine (PubChem CID 121311213) has the molecular formula C80H49N3O2 and a molecular weight of 1084.29 g/mol. Its IUPAC name is N-[4-[3,5-bis(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-[3,5-bis(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine
PubChem CID121311213
Molecular FormulaC80H49N3O2
Molecular Weight1084.29 g/mol
Exact Mass1083.38
IUPAC NameN-[4-[3,5-bis(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine
SMILESc1ccc2c(-n3c4ccccc4c4cc(-c5cc(-c6ccc(N(c7ccc8c(c7)oc7ccccc78)c7ccc8c(c7)oc7ccccc78)cc6)cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7ccccc67)c5)ccc43)cccc2c1
InChIInChI=1S/C80H49N3O2/c1-3-19-61-51(15-1)17-13-27-71(61)82-73-25-9-5-21-63(73)69-46-53(33-41-75(69)82)56-43-55(44-57(45-56)54-34-42-76-70(47-54)64-22-6-10-26-74(64)83(76)72-28-14-18-52-16-2-4-20-62(52)72)50-31-35-58(36-32-50)81(59-37-39-67-65-23-7-11-29-77(65)84-79(67)48-59)60-38-40-68-66-24-8-12-30-78(66)85-80(68)49-60/h1-49H
InChIKeyODRBYOHPARNOQL-UHFFFAOYSA-N
XLogP22.46
TPSA39.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001084.29
LogP ≤ 522.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085104
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)dibenzofuran-3-amine
CID 167322658
9-naphthalen-1-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzofuran-2-yl]carbazole-3,6-diamine
CID 129194460
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 166565654
N-[3-(2-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 168809142
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161469744
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 142416213
3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-naphthalen-1-ylcarbazole
CID 70658967
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-triphenylen-2-yldibenzofuran-3-amine
CID 129085164
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine
CID 153190885
N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline;N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]naphthalen-1-amine
CID 158555584
N-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-N-phenyldibenzofuran-3-amine
CID 118462597

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-bis(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine?
The IUPAC name of N-[4-[3,5-bis(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine (CID 121311213) is N-[4-[3,5-bis(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine.
What is the SMILES notation for N-[4-[3,5-bis(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine?
The canonical SMILES for N-[4-[3,5-bis(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine is c1ccc2c(-n3c4ccccc4c4cc(-c5cc(-c6ccc(N(c7ccc8c(c7)oc7ccccc78)c7ccc8c(c7)oc7ccccc78)cc6)cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7ccccc67)c5)ccc43)cccc2c1.
What is the InChIKey of N-[4-[3,5-bis(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine?
The InChIKey is ODRBYOHPARNOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H49N3O2/c1-3-19-61-51(15-1)17-13-27-71(61)82-73-25-9-5-21-63(73)69-46-53(33-41-75(69)82)56-43-55(44-57(45-56)54-34-42-76-70(47-54)64-22-6-10-26-74(64)83(76)72-28-14-18-52-16-2-4-20-62(52)72)50-31-35-58(36-32-50)81(59-37-39-67-65-23-7-11-29-77(65)84-79(67)48-59)60-38-40-68-66-24-8-12-30-78(66)85-80(68)49-60/h1-49H.
What are the key properties of N-[4-[3,5-bis(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine?
N-[4-[3,5-bis(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine has a molecular weight of 1084.29 g/mol, XLogP of 22.46, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-bis(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-dibenzofuran-3-yldibenzofuran-3-amine is sourced from PubChem (CID 121311213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).