N-[3-(2-chrysen-6-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylnaphthalen-2-amine

C66H43N — CID 170141437

IUPACN-[3-(2-chrysen-6-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylnaphthalen-2-amine
SMILESc1ccc(-c2cc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3cccc(-c4ccccc4-c4cc5c6ccccc6ccc5c5ccccc45)c3)cc3ccccc23)cc1
InChIInChI=1S/C66H43N/c1-2-17-44(18-3-1)64-42-52(40-47-20-5-9-27-56(47)64)67(50-36-33-46(34-37-50)63-41-49-21-6-8-25-55(49)57-28-12-14-31-60(57)63)51-23-16-22-48(39-51)54-26-10-11-29-58(54)66-43-65-53-24-7-4-19-45(53)35-38-62(65)59-30-13-15-32-61(59)66/h1-43H
InChIKeyDOFUSZIPPCQVHH-UHFFFAOYSA-N
MW850.08 g/mol
LogP18.74
Rot. Bonds7

About N-[3-(2-chrysen-6-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylnaphthalen-2-amine

N-[3-(2-chrysen-6-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylnaphthalen-2-amine (PubChem CID 170141437) has the molecular formula C66H43N and a molecular weight of 850.08 g/mol. Its IUPAC name is N-[3-(2-chrysen-6-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[3-(2-chrysen-6-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylnaphthalen-2-amine
PubChem CID170141437
Molecular FormulaC66H43N
Molecular Weight850.08 g/mol
Exact Mass849.34
IUPAC NameN-[3-(2-chrysen-6-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylnaphthalen-2-amine
SMILESc1ccc(-c2cc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3cccc(-c4ccccc4-c4cc5c6ccccc6ccc5c5ccccc45)c3)cc3ccccc23)cc1
InChIInChI=1S/C66H43N/c1-2-17-44(18-3-1)64-42-52(40-47-20-5-9-27-56(47)64)67(50-36-33-46(34-37-50)63-41-49-21-6-8-25-55(49)57-28-12-14-31-60(57)63)51-23-16-22-48(39-51)54-26-10-11-29-58(54)66-43-65-53-24-7-4-19-45(53)35-38-62(65)59-30-13-15-32-61(59)66/h1-43H
InChIKeyDOFUSZIPPCQVHH-UHFFFAOYSA-N
XLogP18.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.08
LogP ≤ 518.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 142614555
N-(4-naphthalen-1-ylphenyl)-3-phenanthren-9-yl-N-(3-phenanthren-9-ylphenyl)aniline
CID 162481190
3-chrysen-6-yl-N-phenyl-N-(4-phenylphenyl)aniline
CID 170141071
3-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172502599
N-[4-[1-[3-(N-naphthalen-2-ylanilino)phenyl]chrysen-6-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 122416704
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 172501733
N-(4-chrysen-6-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine
CID 170135686
N-(3-chrysen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-3-phenylaniline
CID 170141257
3-benzo[c]phenanthren-6-yl-N-(4-phenanthren-9-ylphenyl)-4-phenyl-N-(3-phenylphenyl)aniline
CID 167182365
3-naphthalen-1-yl-N-(3-phenanthren-9-ylphenyl)-N-phenylaniline
CID 166566666
N-(4-naphthalen-1-ylphenyl)-4-(2-phenanthren-9-ylphenyl)-N-(4-phenanthren-9-ylphenyl)aniline
CID 163547627
N-[3-(2,4-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-2-amine
CID 166659579

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chrysen-6-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylnaphthalen-2-amine?
The IUPAC name of N-[3-(2-chrysen-6-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylnaphthalen-2-amine (CID 170141437) is N-[3-(2-chrysen-6-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[3-(2-chrysen-6-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylnaphthalen-2-amine?
The canonical SMILES for N-[3-(2-chrysen-6-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylnaphthalen-2-amine is c1ccc(-c2cc(N(c3ccc(-c4cc5ccccc5c5ccccc45)cc3)c3cccc(-c4ccccc4-c4cc5c6ccccc6ccc5c5ccccc45)c3)cc3ccccc23)cc1.
What is the InChIKey of N-[3-(2-chrysen-6-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylnaphthalen-2-amine?
The InChIKey is DOFUSZIPPCQVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N/c1-2-17-44(18-3-1)64-42-52(40-47-20-5-9-27-56(47)64)67(50-36-33-46(34-37-50)63-41-49-21-6-8-25-55(49)57-28-12-14-31-60(57)63)51-23-16-22-48(39-51)54-26-10-11-29-58(54)66-43-65-53-24-7-4-19-45(53)35-38-62(65)59-30-13-15-32-61(59)66/h1-43H.
What are the key properties of N-[3-(2-chrysen-6-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylnaphthalen-2-amine?
N-[3-(2-chrysen-6-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylnaphthalen-2-amine has a molecular weight of 850.08 g/mol, XLogP of 18.74, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chrysen-6-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylnaphthalen-2-amine is sourced from PubChem (CID 170141437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).