N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)phenanthren-1-amine

C68H43NO — CID 169061866

IUPACN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)phenanthren-1-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc(N(c5ccc(-c6cccc7oc8c9ccccc9ccc8c67)cc5)c5cccc6c5ccc5ccccc56)c4)ccc3c3ccccc23)cc1
InChIInChI=1S/C68H43NO/c1-3-18-47(19-4-1)65-60-27-12-11-26-57(60)58-39-36-50(43-62(58)66(65)48-20-5-2-6-21-48)49-22-13-23-52(42-49)69(63-30-14-29-56-53-24-9-7-16-44(53)34-40-59(56)63)51-37-32-46(33-38-51)54-28-15-31-64-67(54)61-41-35-45-17-8-10-25-55(45)68(61)70-64/h1-43H
InChIKeyPCUPGNXWLWDXLB-UHFFFAOYSA-N
MW890.10 g/mol
LogP19.49
Rot. Bonds7

About N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)phenanthren-1-amine

N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)phenanthren-1-amine (PubChem CID 169061866) has the molecular formula C68H43NO and a molecular weight of 890.10 g/mol. Its IUPAC name is N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)phenanthren-1-amine.

Molecular Properties

Compound NameN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)phenanthren-1-amine
PubChem CID169061866
Molecular FormulaC68H43NO
Molecular Weight890.10 g/mol
Exact Mass889.33
IUPAC NameN-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)phenanthren-1-amine
SMILESc1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc(N(c5ccc(-c6cccc7oc8c9ccccc9ccc8c67)cc5)c5cccc6c5ccc5ccccc56)c4)ccc3c3ccccc23)cc1
InChIInChI=1S/C68H43NO/c1-3-18-47(19-4-1)65-60-27-12-11-26-57(60)58-39-36-50(43-62(58)66(65)48-20-5-2-6-21-48)49-22-13-23-52(42-49)69(63-30-14-29-56-53-24-9-7-16-44(53)34-40-59(56)63)51-37-32-46(33-38-51)54-28-15-31-64-67(54)61-41-35-45-17-8-10-25-55(45)68(61)70-64/h1-43H
InChIKeyPCUPGNXWLWDXLB-UHFFFAOYSA-N
XLogP19.49
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500890.10
LogP ≤ 519.49
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-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)phenanthren-9-amine
CID 169064165
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)phenanthren-1-amine
CID 166939869
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 169064782
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-2-amine
CID 169062612
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine
CID 167330924
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)phenanthren-1-amine
CID 170272446
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 166939006
2-naphthalen-1-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-1-ylphenyl)aniline
CID 167330222
N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167329791
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine
CID 169063637
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738577
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphthalen-1-amine
CID 167330881

Frequently Asked Questions

What is the IUPAC name of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)phenanthren-1-amine?
The IUPAC name of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)phenanthren-1-amine (CID 169061866) is N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)phenanthren-1-amine.
What is the SMILES notation for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)phenanthren-1-amine?
The canonical SMILES for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)phenanthren-1-amine is c1ccc(-c2c(-c3ccccc3)c3cc(-c4cccc(N(c5ccc(-c6cccc7oc8c9ccccc9ccc8c67)cc5)c5cccc6c5ccc5ccccc56)c4)ccc3c3ccccc23)cc1.
What is the InChIKey of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)phenanthren-1-amine?
The InChIKey is PCUPGNXWLWDXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H43NO/c1-3-18-47(19-4-1)65-60-27-12-11-26-57(60)58-39-36-50(43-62(58)66(65)48-20-5-2-6-21-48)49-22-13-23-52(42-49)69(63-30-14-29-56-53-24-9-7-16-44(53)34-40-59(56)63)51-37-32-46(33-38-51)54-28-15-31-64-67(54)61-41-35-45-17-8-10-25-55(45)68(61)70-64/h1-43H.
What are the key properties of N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)phenanthren-1-amine?
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)phenanthren-1-amine has a molecular weight of 890.10 g/mol, XLogP of 19.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)phenanthren-1-amine is sourced from PubChem (CID 169061866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).