N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-4-amine

C60H38N2O — CID 177121504

IUPACN-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-4-amine
SMILESc1ccc(-n2c3ccccc3c3c(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)cccc32)cc1
InChIInChI=1S/C60H38N2O/c1-2-16-43(17-3-1)62-55-25-11-10-22-53(55)58-56(26-13-27-57(58)62)61(45-35-30-41(31-36-45)54-38-42-15-5-6-18-46(42)49-20-8-9-21-50(49)54)44-33-28-40(29-34-44)48-23-12-24-51-52-37-32-39-14-4-7-19-47(39)60(52)63-59(48)51/h1-38H
InChIKeyJLNLRVWFWWHPQU-UHFFFAOYSA-N
MW802.98 g/mol
LogP16.95
Rot. Bonds6

About N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-4-amine

N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-4-amine (PubChem CID 177121504) has the molecular formula C60H38N2O and a molecular weight of 802.98 g/mol. Its IUPAC name is N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-4-amine.

Molecular Properties

Compound NameN-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-4-amine
PubChem CID177121504
Molecular FormulaC60H38N2O
Molecular Weight802.98 g/mol
Exact Mass802.30
IUPAC NameN-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-4-amine
SMILESc1ccc(-n2c3ccccc3c3c(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)cccc32)cc1
InChIInChI=1S/C60H38N2O/c1-2-16-43(17-3-1)62-55-25-11-10-22-53(55)58-56(26-13-27-57(58)62)61(45-35-30-41(31-36-45)54-38-42-15-5-6-18-46(42)49-20-8-9-21-50(49)54)44-33-28-40(29-34-44)48-23-12-24-51-52-37-32-39-14-4-7-19-47(39)60(52)63-59(48)51/h1-38H
InChIKeyJLNLRVWFWWHPQU-UHFFFAOYSA-N
XLogP16.95
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.98
LogP ≤ 516.95
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-phenanthren-9-ylphenyl)-10-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-4-amine
CID 167277947
N-(4-chrysen-6-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 170138451
N-(4-phenanthren-9-ylphenyl)-10-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 167277934
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737568
N-phenanthren-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 167278254
N-(4-chrysen-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-4-amine
CID 170138400
N,N-bis(naphtho[1,2-b][1]benzofuran-10-yl)-9-phenylcarbazol-4-amine
CID 177121353
N-phenanthren-3-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168809606
9-phenyl-N-(9-phenylcarbazol-4-yl)-N-(6-phenyldibenzofuran-4-yl)carbazol-2-amine
CID 170286483
N-naphtho[1,2-b][1]benzofuran-7-yl-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 171737667
4-[4-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 164736762
N,N-bis(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 142614505

Frequently Asked Questions

What is the IUPAC name of N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-4-amine?
The IUPAC name of N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-4-amine (CID 177121504) is N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-4-amine.
What is the SMILES notation for N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-4-amine?
The canonical SMILES for N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-4-amine is c1ccc(-n2c3ccccc3c3c(N(c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccc(-c5cccc6c5oc5c7ccccc7ccc65)cc4)cccc32)cc1.
What is the InChIKey of N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-4-amine?
The InChIKey is JLNLRVWFWWHPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2O/c1-2-16-43(17-3-1)62-55-25-11-10-22-53(55)58-56(26-13-27-57(58)62)61(45-35-30-41(31-36-45)54-38-42-15-5-6-18-46(42)49-20-8-9-21-50(49)54)44-33-28-40(29-34-44)48-23-12-24-51-52-37-32-39-14-4-7-19-47(39)60(52)63-59(48)51/h1-38H.
What are the key properties of N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-4-amine?
N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-4-amine has a molecular weight of 802.98 g/mol, XLogP of 16.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-9-phenylcarbazol-4-amine is sourced from PubChem (CID 177121504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).