N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine

C54H34N2O — CID 167277099

IUPACN-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(ccc7ccccc76)c5)c5cc6ccccc6c6oc7ccccc7c56)cc4)ccc32)cc1
InChIInChI=1S/C54H34N2O/c1-2-14-40(15-3-1)56-49-20-10-8-18-46(49)48-33-37(26-31-50(48)56)35-24-27-41(28-25-35)55(42-29-30-44-39(32-42)23-22-36-12-4-6-16-43(36)44)51-34-38-13-5-7-17-45(38)54-53(51)47-19-9-11-21-52(47)57-54/h1-34H
InChIKeyJOUNVEVBVNURJG-UHFFFAOYSA-N
MW726.88 g/mol
LogP15.28
Rot. Bonds5

About N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine

N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine (PubChem CID 167277099) has the molecular formula C54H34N2O and a molecular weight of 726.88 g/mol. Its IUPAC name is N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine.

Molecular Properties

Compound NameN-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine
PubChem CID167277099
Molecular FormulaC54H34N2O
Molecular Weight726.88 g/mol
Exact Mass726.27
IUPAC NameN-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(ccc7ccccc76)c5)c5cc6ccccc6c6oc7ccccc7c56)cc4)ccc32)cc1
InChIInChI=1S/C54H34N2O/c1-2-14-40(15-3-1)56-49-20-10-8-18-46(49)48-33-37(26-31-50(48)56)35-24-27-41(28-25-35)55(42-29-30-44-39(32-42)23-22-36-12-4-6-16-43(36)44)51-34-38-13-5-7-17-45(38)54-53(51)47-19-9-11-21-52(47)57-54/h1-34H
InChIKeyJOUNVEVBVNURJG-UHFFFAOYSA-N
XLogP15.28
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(4-carbazol-9-ylphenyl)-N-phenanthren-2-ylnaphtho[1,2-b][1]benzofuran-6-amine
CID 167277705
N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 167278199
N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-8-amine
CID 167278176
N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 167278254
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170272106
4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609511
N-phenanthren-3-yl-9-phenyl-N-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazol-3-amine
CID 176820826
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738867
N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-1-amine
CID 167278181
N-phenanthren-3-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168809606
N-phenanthren-2-yl-9-phenyl-N-(4-phenyldibenzofuran-1-yl)carbazol-2-amine
CID 176820903
4-naphthalen-1-yl-N-phenanthren-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine
CID 176820492

Frequently Asked Questions

What is the IUPAC name of N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine?
The IUPAC name of N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine (CID 167277099) is N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine.
What is the SMILES notation for N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine?
The canonical SMILES for N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine is c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(ccc7ccccc76)c5)c5cc6ccccc6c6oc7ccccc7c56)cc4)ccc32)cc1.
What is the InChIKey of N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine?
The InChIKey is JOUNVEVBVNURJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O/c1-2-14-40(15-3-1)56-49-20-10-8-18-46(49)48-33-37(26-31-50(48)56)35-24-27-41(28-25-35)55(42-29-30-44-39(32-42)23-22-36-12-4-6-16-43(36)44)51-34-38-13-5-7-17-45(38)54-53(51)47-19-9-11-21-52(47)57-54/h1-34H.
What are the key properties of N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine?
N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine has a molecular weight of 726.88 g/mol, XLogP of 15.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-6-amine is sourced from PubChem (CID 167277099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).