N-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]carbazol-2-amine

C56H36N2O — CID 163804566

IUPACN-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]carbazol-2-amine
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4c5ccccc5cc5oc6ccccc6c45)cc3)cc3ccccc23)cc1
InChIInChI=1S/C56H36N2O/c1-3-15-38(16-4-1)50-34-41(33-39-17-7-9-21-45(39)50)37-27-29-43(30-28-37)57(56-46-22-10-8-18-40(46)35-54-55(56)49-24-12-14-26-53(49)59-54)44-31-32-48-47-23-11-13-25-51(47)58(52(48)36-44)42-19-5-2-6-20-42/h1-36H
InChIKeyNHXLKNJGFAGJIN-UHFFFAOYSA-N
MW752.92 g/mol
LogP15.79
Rot. Bonds6

About N-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]carbazol-2-amine

N-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]carbazol-2-amine (PubChem CID 163804566) has the molecular formula C56H36N2O and a molecular weight of 752.92 g/mol. Its IUPAC name is N-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]carbazol-2-amine.

Molecular Properties

Compound NameN-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]carbazol-2-amine
PubChem CID163804566
Molecular FormulaC56H36N2O
Molecular Weight752.92 g/mol
Exact Mass752.28
IUPAC NameN-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]carbazol-2-amine
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4c5ccccc5cc5oc6ccccc6c45)cc3)cc3ccccc23)cc1
InChIInChI=1S/C56H36N2O/c1-3-15-38(16-4-1)50-34-41(33-39-17-7-9-21-45(39)50)37-27-29-43(30-28-37)57(56-46-22-10-8-18-40(46)35-54-55(56)49-24-12-14-26-53(49)59-54)44-31-32-48-47-23-11-13-25-51(47)58(52(48)36-44)42-19-5-2-6-20-42/h1-36H
InChIKeyNHXLKNJGFAGJIN-UHFFFAOYSA-N
XLogP15.79
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.92
LogP ≤ 515.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphtho[3,2-b][1]benzofuran-11-yl-N,9-diphenylcarbazol-3-amine
CID 163743576
9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(2,4,6-triphenylphenyl)carbazol-2-amine
CID 121287924
N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 170033894
N,9-diphenyl-N-(2,4,6-triphenylphenyl)carbazol-2-amine
CID 121287921
9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-N-(4-phenylphenyl)carbazol-2-amine
CID 176795732
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 170033598
3-phenyl-N-[4-[4-(9-phenylcarbazol-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 176765099
N-[4-(9-oxa-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaen-16-yl)phenyl]-N,4-diphenylaniline
CID 140905652
5-(9-phenylcarbazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 176765253
N-naphtho[2,3-b][1]benzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-2-amine
CID 167031787
N-(4-phenanthren-9-ylphenyl)-N,7,12-triphenyl-[1]benzofuro[2,3-b]carbazol-9-amine
CID 170376619
N-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-3-amine
CID 163568705

Frequently Asked Questions

What is the IUPAC name of N-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]carbazol-2-amine?
The IUPAC name of N-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]carbazol-2-amine (CID 163804566) is N-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]carbazol-2-amine.
What is the SMILES notation for N-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]carbazol-2-amine?
The canonical SMILES for N-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]carbazol-2-amine is c1ccc(-c2cc(-c3ccc(N(c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4c5ccccc5cc5oc6ccccc6c45)cc3)cc3ccccc23)cc1.
What is the InChIKey of N-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]carbazol-2-amine?
The InChIKey is NHXLKNJGFAGJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-3-15-38(16-4-1)50-34-41(33-39-17-7-9-21-45(39)50)37-27-29-43(30-28-37)57(56-46-22-10-8-18-40(46)35-54-55(56)49-24-12-14-26-53(49)59-54)44-31-32-48-47-23-11-13-25-51(47)58(52(48)36-44)42-19-5-2-6-20-42/h1-36H.
What are the key properties of N-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]carbazol-2-amine?
N-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]carbazol-2-amine has a molecular weight of 752.92 g/mol, XLogP of 15.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphtho[3,2-b][1]benzofuran-11-yl-9-phenyl-N-[4-(4-phenylnaphthalen-2-yl)phenyl]carbazol-2-amine is sourced from PubChem (CID 163804566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).