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

C54H34N2O — CID 167031787

IUPACN-naphtho[2,3-b][1]benzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4cccc5oc6cc7ccccc7cc6c45)cc32)cc1
InChIInChI=1S/C54H34N2O/c1-2-16-39(17-3-1)56-49-22-11-10-21-45(49)46-30-29-41(34-51(46)56)55(50-23-12-24-52-54(50)48-31-36-13-4-5-14-37(36)33-53(48)57-52)40-27-25-35(26-28-40)47-32-38-15-6-7-18-42(38)43-19-8-9-20-44(43)47/h1-34H
InChIKeyYBHCNCRFOHRGDK-UHFFFAOYSA-N
MW726.88 g/mol
LogP15.28
Rot. Bonds5

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

N-naphtho[2,3-b][1]benzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-2-amine (PubChem CID 167031787) has the molecular formula C54H34N2O and a molecular weight of 726.88 g/mol. Its IUPAC name is N-naphtho[2,3-b][1]benzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-naphtho[2,3-b][1]benzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-2-amine
PubChem CID167031787
Molecular FormulaC54H34N2O
Molecular Weight726.88 g/mol
Exact Mass726.27
IUPAC NameN-naphtho[2,3-b][1]benzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4cccc5oc6cc7ccccc7cc6c45)cc32)cc1
InChIInChI=1S/C54H34N2O/c1-2-16-39(17-3-1)56-49-22-11-10-21-45(49)46-30-29-41(34-51(46)56)55(50-23-12-24-52-54(50)48-31-36-13-4-5-14-37(36)33-53(48)57-52)40-27-25-35(26-28-40)47-32-38-15-6-7-18-42(38)43-19-8-9-20-44(43)47/h1-34H
InChIKeyYBHCNCRFOHRGDK-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'}

Analyze N-naphtho[2,3-b][1]benzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-2-amine with MolForge

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Related Compounds

9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-N-(4-phenylphenyl)carbazol-2-amine
CID 176795732
N-dibenzofuran-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814779
N-dibenzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine
CID 170280362
N-chrysen-2-yl-N-dibenzofuran-1-yl-9-phenylcarbazol-3-amine
CID 171399275
1-N-naphtho[2,3-b][1]benzofuran-2-yl-1-N,4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[2,3-b][1]benzofuran-1-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[2,3-b][1]benzofuran-3-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine;4-N-naphtho[2,3-b][1]benzofuran-4-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine
CID 165100734
N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169007542
5-phenanthren-9-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(9-phenylcarbazol-4-yl)benzene-1,3-diamine
CID 162770398
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 153314660
1-N-dibenzofuran-2-yl-3-N-dibenzofuran-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-3-yl-5-phenanthren-9-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N-dibenzofuran-2-yl-5-phenanthren-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 163654631
N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzofuran-3-yl-9-phenylcarbazol-2-amine
CID 170033851
N,N-diphenyl-5-(9-phenylcarbazol-2-yl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795601
N-dibenzofuran-1-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169010129

Frequently Asked Questions

What is the IUPAC name of N-naphtho[2,3-b][1]benzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-2-amine?
The IUPAC name of N-naphtho[2,3-b][1]benzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-2-amine (CID 167031787) is N-naphtho[2,3-b][1]benzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-naphtho[2,3-b][1]benzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-2-amine?
The canonical SMILES for N-naphtho[2,3-b][1]benzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-2-amine is c1ccc(-n2c3ccccc3c3ccc(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4cccc5oc6cc7ccccc7cc6c45)cc32)cc1.
What is the InChIKey of N-naphtho[2,3-b][1]benzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-2-amine?
The InChIKey is YBHCNCRFOHRGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O/c1-2-16-39(17-3-1)56-49-22-11-10-21-45(49)46-30-29-41(34-51(46)56)55(50-23-12-24-52-54(50)48-31-36-13-4-5-14-37(36)33-53(48)57-52)40-27-25-35(26-28-40)47-32-38-15-6-7-18-42(38)43-19-8-9-20-44(43)47/h1-34H.
What are the key properties of N-naphtho[2,3-b][1]benzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-2-amine?
N-naphtho[2,3-b][1]benzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)-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-naphtho[2,3-b][1]benzofuran-1-yl-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-2-amine is sourced from PubChem (CID 167031787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).