N,9-diphenyl-N-[7-(11-phenylbenzo[a]carbazol-8-yl)dibenzofuran-3-yl]carbazol-2-amine

C58H37N3O — CID 167243662

IUPACN,9-diphenyl-N-[7-(11-phenylbenzo[a]carbazol-8-yl)dibenzofuran-3-yl]carbazol-2-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2cc(-c4ccc5c(c4)c4ccc6ccccc6c4n5-c4ccccc4)ccc23)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C58H37N3O/c1-4-15-41(16-5-1)59(44-27-31-48-47-22-12-13-23-53(47)60(55(48)36-44)42-17-6-2-7-18-42)45-28-32-50-49-29-25-40(35-56(49)62-57(50)37-45)39-26-33-54-52(34-39)51-30-24-38-14-10-11-21-46(38)58(51)61(54)43-19-8-3-9-20-43/h1-37H
InChIKeyXRWZAQFDCUENPE-UHFFFAOYSA-N
MW791.95 g/mol
LogP16.07
Rot. Bonds6

About N,9-diphenyl-N-[7-(11-phenylbenzo[a]carbazol-8-yl)dibenzofuran-3-yl]carbazol-2-amine

N,9-diphenyl-N-[7-(11-phenylbenzo[a]carbazol-8-yl)dibenzofuran-3-yl]carbazol-2-amine (PubChem CID 167243662) has the molecular formula C58H37N3O and a molecular weight of 791.95 g/mol. Its IUPAC name is N,9-diphenyl-N-[7-(11-phenylbenzo[a]carbazol-8-yl)dibenzofuran-3-yl]carbazol-2-amine.

Molecular Properties

Compound NameN,9-diphenyl-N-[7-(11-phenylbenzo[a]carbazol-8-yl)dibenzofuran-3-yl]carbazol-2-amine
PubChem CID167243662
Molecular FormulaC58H37N3O
Molecular Weight791.95 g/mol
Exact Mass791.29
IUPAC NameN,9-diphenyl-N-[7-(11-phenylbenzo[a]carbazol-8-yl)dibenzofuran-3-yl]carbazol-2-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2cc(-c4ccc5c(c4)c4ccc6ccccc6c4n5-c4ccccc4)ccc23)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C58H37N3O/c1-4-15-41(16-5-1)59(44-27-31-48-47-22-12-13-23-53(47)60(55(48)36-44)42-17-6-2-7-18-42)45-28-32-50-49-29-25-40(35-56(49)62-57(50)37-45)39-26-33-54-52(34-39)51-30-24-38-14-10-11-21-46(38)58(51)61(54)43-19-8-3-9-20-43/h1-37H
InChIKeyXRWZAQFDCUENPE-UHFFFAOYSA-N
XLogP16.07
TPSA26.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.95
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,9-diphenyl-N-[7-(11-phenylbenzo[a]carbazol-8-yl)dibenzofuran-3-yl]carbazol-2-amine with MolForge

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Related Compounds

N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 166847504
N,4-diphenyl-N-[4-[3-(11-phenylbenzo[a]carbazol-8-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
CID 121311168
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 168781443
N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-11-phenylbenzo[a]carbazol-3-amine
CID 155034759
N-(4-dibenzofuran-3-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168781725
N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-3-amine
CID 168781831
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-dibenzofuran-2-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 168781922
N,4-diphenyl-N-[4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)phenyl]aniline
CID 154589094
N-dibenzofuran-3-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-2-amine
CID 166847754
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 168782026
7-N,19-N-di(dibenzofuran-2-yl)-19-N-[7-[4-[3-(N-[4-(10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaen-7-yl)phenyl]anilino)carbazol-9-yl]phenyl]-9-phenylcarbazol-2-yl]-7-N-(9-phenylcarbazol-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine
CID 166829778

Frequently Asked Questions

What is the IUPAC name of N,9-diphenyl-N-[7-(11-phenylbenzo[a]carbazol-8-yl)dibenzofuran-3-yl]carbazol-2-amine?
The IUPAC name of N,9-diphenyl-N-[7-(11-phenylbenzo[a]carbazol-8-yl)dibenzofuran-3-yl]carbazol-2-amine (CID 167243662) is N,9-diphenyl-N-[7-(11-phenylbenzo[a]carbazol-8-yl)dibenzofuran-3-yl]carbazol-2-amine.
What is the SMILES notation for N,9-diphenyl-N-[7-(11-phenylbenzo[a]carbazol-8-yl)dibenzofuran-3-yl]carbazol-2-amine?
The canonical SMILES for N,9-diphenyl-N-[7-(11-phenylbenzo[a]carbazol-8-yl)dibenzofuran-3-yl]carbazol-2-amine is c1ccc(N(c2ccc3c(c2)oc2cc(-c4ccc5c(c4)c4ccc6ccccc6c4n5-c4ccccc4)ccc23)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of N,9-diphenyl-N-[7-(11-phenylbenzo[a]carbazol-8-yl)dibenzofuran-3-yl]carbazol-2-amine?
The InChIKey is XRWZAQFDCUENPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3O/c1-4-15-41(16-5-1)59(44-27-31-48-47-22-12-13-23-53(47)60(55(48)36-44)42-17-6-2-7-18-42)45-28-32-50-49-29-25-40(35-56(49)62-57(50)37-45)39-26-33-54-52(34-39)51-30-24-38-14-10-11-21-46(38)58(51)61(54)43-19-8-3-9-20-43/h1-37H.
What are the key properties of N,9-diphenyl-N-[7-(11-phenylbenzo[a]carbazol-8-yl)dibenzofuran-3-yl]carbazol-2-amine?
N,9-diphenyl-N-[7-(11-phenylbenzo[a]carbazol-8-yl)dibenzofuran-3-yl]carbazol-2-amine has a molecular weight of 791.95 g/mol, XLogP of 16.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-diphenyl-N-[7-(11-phenylbenzo[a]carbazol-8-yl)dibenzofuran-3-yl]carbazol-2-amine is sourced from PubChem (CID 167243662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).