N,N-diphenyl-9-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine

C46H30N2O — CID 176795638

IUPACN,N-diphenyl-9-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine
SMILESc1ccc(N(c2ccccc2)c2cc(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc3oc4ccc5ccccc5c4c23)cc1
InChIInChI=1S/C46H30N2O/c1-4-16-33(17-5-1)47(34-18-6-2-7-19-34)41-29-32(30-43-46(41)45-36-22-11-10-15-31(36)27-28-42(45)49-43)37-24-14-26-40-44(37)38-23-12-13-25-39(38)48(40)35-20-8-3-9-21-35/h1-30H
InChIKeyYFHDFROWPLBWLB-UHFFFAOYSA-N
MW626.76 g/mol
LogP12.97
Rot. Bonds5

About N,N-diphenyl-9-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine

N,N-diphenyl-9-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine (PubChem CID 176795638) has the molecular formula C46H30N2O and a molecular weight of 626.76 g/mol. Its IUPAC name is N,N-diphenyl-9-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine.

Molecular Properties

Compound NameN,N-diphenyl-9-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine
PubChem CID176795638
Molecular FormulaC46H30N2O
Molecular Weight626.76 g/mol
Exact Mass626.24
IUPAC NameN,N-diphenyl-9-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine
SMILESc1ccc(N(c2ccccc2)c2cc(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc3oc4ccc5ccccc5c4c23)cc1
InChIInChI=1S/C46H30N2O/c1-4-16-33(17-5-1)47(34-18-6-2-7-19-34)41-29-32(30-43-46(41)45-36-22-11-10-15-31(36)27-28-42(45)49-43)37-24-14-26-40-44(37)38-23-12-13-25-39(38)48(40)35-20-8-3-9-21-35/h1-30H
InChIKeyYFHDFROWPLBWLB-UHFFFAOYSA-N
XLogP12.97
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.76
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-2-yl-N-phenyl-10-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176796058
N,N-diphenyl-5-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795724
11-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 176795613
N-naphthalen-2-yl-11-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176796141
N-(3-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 168807443
5-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795776
10-(9-phenylcarbazol-4-yl)-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-4-amine
CID 176795708
N-phenanthren-9-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]phenanthren-3-amine
CID 168810061
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659485
N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659786
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
CID 167195242
N-(3-dibenzofuran-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738743

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-9-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine?
The IUPAC name of N,N-diphenyl-9-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine (CID 176795638) is N,N-diphenyl-9-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine.
What is the SMILES notation for N,N-diphenyl-9-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine?
The canonical SMILES for N,N-diphenyl-9-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine is c1ccc(N(c2ccccc2)c2cc(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc3oc4ccc5ccccc5c4c23)cc1.
What is the InChIKey of N,N-diphenyl-9-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine?
The InChIKey is YFHDFROWPLBWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2O/c1-4-16-33(17-5-1)47(34-18-6-2-7-19-34)41-29-32(30-43-46(41)45-36-22-11-10-15-31(36)27-28-42(45)49-43)37-24-14-26-40-44(37)38-23-12-13-25-39(38)48(40)35-20-8-3-9-21-35/h1-30H.
What are the key properties of N,N-diphenyl-9-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine?
N,N-diphenyl-9-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine has a molecular weight of 626.76 g/mol, XLogP of 12.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-9-(9-phenylcarbazol-4-yl)naphtho[2,1-b][1]benzofuran-11-amine is sourced from PubChem (CID 176795638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).