N-(4-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine

C62H39NO — CID 169007331

IUPACN-(4-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
SMILESc1ccc(-c2cc(-c3ccc4ccccc4c3)ccc2N(c2cc(-c3cc4ccccc4c4ccccc34)c3ccccc3c2)c2ccc3c(c2)oc2cc4ccccc4cc23)cc1
InChIInChI=1S/C62H39NO/c1-2-15-41(16-3-1)56-34-46(45-27-26-40-14-4-5-17-42(40)32-45)28-31-60(56)63(49-29-30-55-59-35-43-18-6-7-19-44(43)37-61(59)64-62(55)39-49)50-33-47-20-8-11-23-52(47)58(38-50)57-36-48-21-9-10-22-51(48)53-24-12-13-25-54(53)57/h1-39H
InChIKeyGKACXANBSBDHSR-UHFFFAOYSA-N
MW814.00 g/mol
LogP17.82
Rot. Bonds6

About N-(4-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine

N-(4-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine (PubChem CID 169007331) has the molecular formula C62H39NO and a molecular weight of 814.00 g/mol. Its IUPAC name is N-(4-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
PubChem CID169007331
Molecular FormulaC62H39NO
Molecular Weight814.00 g/mol
Exact Mass813.30
IUPAC NameN-(4-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
SMILESc1ccc(-c2cc(-c3ccc4ccccc4c3)ccc2N(c2cc(-c3cc4ccccc4c4ccccc34)c3ccccc3c2)c2ccc3c(c2)oc2cc4ccccc4cc23)cc1
InChIInChI=1S/C62H39NO/c1-2-15-41(16-3-1)56-34-46(45-27-26-40-14-4-5-17-42(40)32-45)28-31-60(56)63(49-29-30-55-59-35-43-18-6-7-19-44(43)37-61(59)64-62(55)39-49)50-33-47-20-8-11-23-52(47)58(38-50)57-36-48-21-9-10-22-51(48)53-24-12-13-25-54(53)57/h1-39H
InChIKeyGKACXANBSBDHSR-UHFFFAOYSA-N
XLogP17.82
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.00
LogP ≤ 517.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-diphenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169007692
N-(4-naphthalen-2-ylphenyl)-N-(5-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169007176
N-(3-naphthalen-1-yl-4-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169007230
N-(4-phenanthren-9-yl-2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 154950525
N-[4-[3-naphthalen-2-yl-4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 146582612
9-N,23-N-bis(2,4-diphenylphenyl)-9-N,23-N-diphenyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-9,23-diamine
CID 155360309
N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 174256560
N-(4-naphthalen-2-yl-2-phenylphenyl)-N-naphtho[3,2-b][1]benzofuran-8-yl-9-phenylcarbazol-3-amine
CID 163915696
N-(4-naphtho[2,1-b][1]benzofuran-3-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine
CID 170126932
N-(2-naphthalen-2-yl-4-phenylphenyl)-N-(2-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 176766279
N-[4-[4-[10-[3-[N-naphtho[2,3-b][1]benzofuran-3-yl-4-[4-[3-(N-naphtho[2,3-b][1]benzofuran-3-yl-4-phenylanilino)-4-phenanthren-9-ylphenyl]phenyl]anilino]phenyl]phenanthren-2-yl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 170117885
N-(4-naphthalen-1-ylnaphthalen-2-yl)-N-(7-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-2-amine
CID 169007772

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine?
The IUPAC name of N-(4-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine (CID 169007331) is N-(4-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine.
What is the SMILES notation for N-(4-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine?
The canonical SMILES for N-(4-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine is c1ccc(-c2cc(-c3ccc4ccccc4c3)ccc2N(c2cc(-c3cc4ccccc4c4ccccc34)c3ccccc3c2)c2ccc3c(c2)oc2cc4ccccc4cc23)cc1.
What is the InChIKey of N-(4-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine?
The InChIKey is GKACXANBSBDHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39NO/c1-2-15-41(16-3-1)56-34-46(45-27-26-40-14-4-5-17-42(40)32-45)28-31-60(56)63(49-29-30-55-59-35-43-18-6-7-19-44(43)37-61(59)64-62(55)39-49)50-33-47-20-8-11-23-52(47)58(38-50)57-36-48-21-9-10-22-51(48)53-24-12-13-25-54(53)57/h1-39H.
What are the key properties of N-(4-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine?
N-(4-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine has a molecular weight of 814.00 g/mol, XLogP of 17.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-yl-2-phenylphenyl)-N-(4-phenanthren-9-ylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-amine is sourced from PubChem (CID 169007331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).