N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-1-amine

C56H36N2O — CID 167278181

IUPACN-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-1-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(N(c6cccc7ccccc67)c6cccc7ccc8c9ccccc9oc8c67)cc5)cc4)ccc32)cc1
InChIInChI=1S/C56H36N2O/c1-2-15-43(16-3-1)57-51-20-8-6-18-46(51)49-36-42(31-35-52(49)57)39-26-24-37(25-27-39)38-28-32-44(33-29-38)58(50-21-10-13-40-12-4-5-17-45(40)50)53-22-11-14-41-30-34-48-47-19-7-9-23-54(47)59-56(48)55(41)53/h1-36H
InChIKeyBUSPXSRIXSGSMZ-UHFFFAOYSA-N
MW752.92 g/mol
LogP15.79
Rot. Bonds6

About N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-1-amine

N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-1-amine (PubChem CID 167278181) has the molecular formula C56H36N2O and a molecular weight of 752.92 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-1-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-1-amine
PubChem CID167278181
Molecular FormulaC56H36N2O
Molecular Weight752.92 g/mol
Exact Mass752.28
IUPAC NameN-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-1-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(N(c6cccc7ccccc67)c6cccc7ccc8c9ccccc9oc8c67)cc5)cc4)ccc32)cc1
InChIInChI=1S/C56H36N2O/c1-2-15-43(16-3-1)57-51-20-8-6-18-46(51)49-36-42(31-35-52(49)57)39-26-24-37(25-27-39)38-28-32-44(33-29-38)58(50-21-10-13-40-12-4-5-17-45(40)50)53-22-11-14-41-30-34-48-47-19-7-9-23-54(47)59-56(48)55(41)53/h1-36H
InChIKeyBUSPXSRIXSGSMZ-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-dibenzofuran-4-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737323
N-dibenzofuran-4-yl-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738551
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170272106
N-dibenzofuran-1-yl-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739037
N-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402344
N-chrysen-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine
CID 170138972
N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 167278199
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]dibenzofuran-4-amine
CID 58510953
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167278242
N-naphthalen-1-yl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]dibenzofuran-4-amine
CID 168782154
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738867

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-1-amine?
The IUPAC name of N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-1-amine (CID 167278181) is N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-1-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-1-amine?
The canonical SMILES for N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-1-amine is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(N(c6cccc7ccccc67)c6cccc7ccc8c9ccccc9oc8c67)cc5)cc4)ccc32)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-1-amine?
The InChIKey is BUSPXSRIXSGSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O/c1-2-15-43(16-3-1)57-51-20-8-6-18-46(51)49-36-42(31-35-52(49)57)39-26-24-37(25-27-39)38-28-32-44(33-29-38)58(50-21-10-13-40-12-4-5-17-45(40)50)53-22-11-14-41-30-34-48-47-19-7-9-23-54(47)59-56(48)55(41)53/h1-36H.
What are the key properties of N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-1-amine?
N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-1-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-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-1-amine is sourced from PubChem (CID 167278181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).