N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-phenanthren-2-yl-9-phenylcarbazol-2-amine

C54H34N2O — CID 176820503

IUPACN-(4-naphthalen-1-yldibenzofuran-1-yl)-N-phenanthren-2-yl-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(ccc6ccccc65)c4)c4ccc(-c5cccc6ccccc56)c5oc6ccccc6c45)cc32)cc1
InChIInChI=1S/C54H34N2O/c1-2-16-38(17-3-1)56-49-23-10-8-20-45(49)46-30-28-40(34-51(46)56)55(39-27-29-43-37(33-39)26-25-36-14-5-6-18-41(36)43)50-32-31-47(44-22-12-15-35-13-4-7-19-42(35)44)54-53(50)48-21-9-11-24-52(48)57-54/h1-34H
InChIKeyLELCROUVAGHYSE-UHFFFAOYSA-N
MW726.88 g/mol
LogP15.28
Rot. Bonds5

About N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-phenanthren-2-yl-9-phenylcarbazol-2-amine

N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-phenanthren-2-yl-9-phenylcarbazol-2-amine (PubChem CID 176820503) has the molecular formula C54H34N2O and a molecular weight of 726.88 g/mol. Its IUPAC name is N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-phenanthren-2-yl-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-yldibenzofuran-1-yl)-N-phenanthren-2-yl-9-phenylcarbazol-2-amine
PubChem CID176820503
Molecular FormulaC54H34N2O
Molecular Weight726.88 g/mol
Exact Mass726.27
IUPAC NameN-(4-naphthalen-1-yldibenzofuran-1-yl)-N-phenanthren-2-yl-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(ccc6ccccc65)c4)c4ccc(-c5cccc6ccccc56)c5oc6ccccc6c45)cc32)cc1
InChIInChI=1S/C54H34N2O/c1-2-16-38(17-3-1)56-49-23-10-8-20-45(49)46-30-28-40(34-51(46)56)55(39-27-29-43-37(33-39)26-25-36-14-5-6-18-41(36)43)50-32-31-47(44-22-12-15-35-13-4-7-19-42(35)44)54-53(50)48-21-9-11-24-52(48)57-54/h1-34H
InChIKeyLELCROUVAGHYSE-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-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
N-phenanthren-2-yl-4-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine
CID 176820900
4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yldibenzofuran-1-amine
CID 176820794
4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine
CID 168847918
4-(3-carbazol-9-ylphenyl)-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176608070
N-naphthalen-2-yl-N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenylcarbazol-2-amine
CID 163518594
N-chrysen-2-yl-N-dibenzofuran-1-yl-9-phenylcarbazol-3-amine
CID 171399275
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-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
CID 170033851
4-naphthalen-1-yl-N-naphthalen-2-yl-N-phenanthren-1-yldibenzofuran-1-amine
CID 176820677

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-phenanthren-2-yl-9-phenylcarbazol-2-amine?
The IUPAC name of N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-phenanthren-2-yl-9-phenylcarbazol-2-amine (CID 176820503) is N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-phenanthren-2-yl-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-phenanthren-2-yl-9-phenylcarbazol-2-amine?
The canonical SMILES for N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-phenanthren-2-yl-9-phenylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc5c(ccc6ccccc65)c4)c4ccc(-c5cccc6ccccc56)c5oc6ccccc6c45)cc32)cc1.
What is the InChIKey of N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-phenanthren-2-yl-9-phenylcarbazol-2-amine?
The InChIKey is LELCROUVAGHYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O/c1-2-16-38(17-3-1)56-49-23-10-8-20-45(49)46-30-28-40(34-51(46)56)55(39-27-29-43-37(33-39)26-25-36-14-5-6-18-41(36)43)50-32-31-47(44-22-12-15-35-13-4-7-19-42(35)44)54-53(50)48-21-9-11-24-52(48)57-54/h1-34H.
What are the key properties of N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-phenanthren-2-yl-9-phenylcarbazol-2-amine?
N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-phenanthren-2-yl-9-phenylcarbazol-2-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-(4-naphthalen-1-yldibenzofuran-1-yl)-N-phenanthren-2-yl-9-phenylcarbazol-2-amine is sourced from PubChem (CID 176820503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).