4-naphthalen-1-yl-N-phenanthren-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine

C60H38N2O — CID 176820492

IUPAC4-naphthalen-1-yl-N-phenanthren-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc6ccc7ccccc7c6c5)c5ccc(-c6cccc7ccccc67)c6oc7ccccc7c56)cc4)cc32)cc1
InChIInChI=1S/C60H38N2O/c1-2-16-44(17-3-1)62-55-23-10-8-20-50(55)51-34-30-43(37-57(51)62)39-27-31-45(32-28-39)61(46-33-29-42-26-25-41-14-5-7-19-48(41)54(42)38-46)56-36-35-52(49-22-12-15-40-13-4-6-18-47(40)49)60-59(56)53-21-9-11-24-58(53)63-60/h1-38H
InChIKeyWDNROGYJWVHASE-UHFFFAOYSA-N
MW802.98 g/mol
LogP16.95
Rot. Bonds6

About 4-naphthalen-1-yl-N-phenanthren-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine

4-naphthalen-1-yl-N-phenanthren-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine (PubChem CID 176820492) has the molecular formula C60H38N2O and a molecular weight of 802.98 g/mol. Its IUPAC name is 4-naphthalen-1-yl-N-phenanthren-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound Name4-naphthalen-1-yl-N-phenanthren-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine
PubChem CID176820492
Molecular FormulaC60H38N2O
Molecular Weight802.98 g/mol
Exact Mass802.30
IUPAC Name4-naphthalen-1-yl-N-phenanthren-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc6ccc7ccccc7c6c5)c5ccc(-c6cccc7ccccc67)c6oc7ccccc7c56)cc4)cc32)cc1
InChIInChI=1S/C60H38N2O/c1-2-16-44(17-3-1)62-55-23-10-8-20-50(55)51-34-30-43(37-57(51)62)39-27-31-45(32-28-39)61(46-33-29-42-26-25-41-14-5-7-19-48(41)54(42)38-46)56-36-35-52(49-22-12-15-40-13-4-6-18-47(40)49)60-59(56)53-21-9-11-24-58(53)63-60/h1-38H
InChIKeyWDNROGYJWVHASE-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-naphthalen-1-yldibenzofuran-1-yl)-N-phenanthren-2-yl-9-phenylcarbazol-2-amine
CID 176820503
4-naphthalen-1-yl-N-phenanthren-3-yl-N-(4-phenanthren-3-ylphenyl)dibenzofuran-1-amine
CID 176820935
N-phenanthren-3-yl-9-phenyl-N-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazol-3-amine
CID 176820826
4-(4-carbazol-9-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 176609511
4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]dibenzofuran-1-amine
CID 168847918
N-phenanthren-2-yl-9-phenyl-N-(4-phenyldibenzofuran-1-yl)carbazol-2-amine
CID 176820903
4-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(9-phenylcarbazol-4-yl)phenyl]phenyl]dibenzofuran-1-amine
CID 168848073
N-phenanthren-2-yl-4-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine
CID 176820900
N-[4-(8,9-diphenylcarbazol-4-yl)phenyl]-N-phenanthren-3-yl-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820754
N-(4-naphthalen-1-yldibenzofuran-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-(9-phenylcarbazol-4-yl)dibenzofuran-1-amine
CID 168847740
4-(3-carbazol-9-ylphenyl)-N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 176608070
4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-yldibenzofuran-1-amine
CID 176820794

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-N-phenanthren-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine?
The IUPAC name of 4-naphthalen-1-yl-N-phenanthren-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine (CID 176820492) is 4-naphthalen-1-yl-N-phenanthren-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for 4-naphthalen-1-yl-N-phenanthren-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for 4-naphthalen-1-yl-N-phenanthren-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine is c1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc6ccc7ccccc7c6c5)c5ccc(-c6cccc7ccccc67)c6oc7ccccc7c56)cc4)cc32)cc1.
What is the InChIKey of 4-naphthalen-1-yl-N-phenanthren-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine?
The InChIKey is WDNROGYJWVHASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2O/c1-2-16-44(17-3-1)62-55-23-10-8-20-50(55)51-34-30-43(37-57(51)62)39-27-31-45(32-28-39)61(46-33-29-42-26-25-41-14-5-7-19-48(41)54(42)38-46)56-36-35-52(49-22-12-15-40-13-4-6-18-47(40)49)60-59(56)53-21-9-11-24-58(53)63-60/h1-38H.
What are the key properties of 4-naphthalen-1-yl-N-phenanthren-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine?
4-naphthalen-1-yl-N-phenanthren-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-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 4-naphthalen-1-yl-N-phenanthren-3-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 176820492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).