N,N-bis(4-cinnolin-8-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine

C52H33N5 — CID 170404443

IUPACN,N-bis(4-cinnolin-8-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine
SMILESc1ccc2cc(-c3ccc4c(ccc5cc(N(c6ccc(-c7cccc8ccnnc78)cc6)c6ccc(-c7cccc8ccnnc78)cc6)ccc54)c3)ccc2c1
InChIInChI=1S/C52H33N5/c1-2-6-39-31-40(12-11-34(39)5-1)41-19-25-47-42(32-41)13-14-43-33-46(24-26-48(43)47)57(44-20-15-35(16-21-44)49-9-3-7-37-27-29-53-55-51(37)49)45-22-17-36(18-23-45)50-10-4-8-38-28-30-54-56-52(38)50/h1-33H
InChIKeyRTBJFUFKRZKDTP-UHFFFAOYSA-N
MW727.87 g/mol
LogP13.50
Rot. Bonds6

About N,N-bis(4-cinnolin-8-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine

N,N-bis(4-cinnolin-8-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine (PubChem CID 170404443) has the molecular formula C52H33N5 and a molecular weight of 727.87 g/mol. Its IUPAC name is N,N-bis(4-cinnolin-8-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine.

Molecular Properties

Compound NameN,N-bis(4-cinnolin-8-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine
PubChem CID170404443
Molecular FormulaC52H33N5
Molecular Weight727.87 g/mol
Exact Mass727.27
IUPAC NameN,N-bis(4-cinnolin-8-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine
SMILESc1ccc2cc(-c3ccc4c(ccc5cc(N(c6ccc(-c7cccc8ccnnc78)cc6)c6ccc(-c7cccc8ccnnc78)cc6)ccc54)c3)ccc2c1
InChIInChI=1S/C52H33N5/c1-2-6-39-31-40(12-11-34(39)5-1)41-19-25-47-42(32-41)13-14-43-33-46(24-26-48(43)47)57(44-20-15-35(16-21-44)49-9-3-7-37-27-29-53-55-51(37)49)45-22-17-36(18-23-45)50-10-4-8-38-28-30-54-56-52(38)50/h1-33H
InChIKeyRTBJFUFKRZKDTP-UHFFFAOYSA-N
XLogP13.50
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.87
LogP ≤ 513.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(4-isoquinolin-5-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine
CID 170404386
7-naphthalen-2-yl-N,N-bis(4-phthalazin-6-ylphenyl)phenanthren-2-amine
CID 170404405
N-(4-benzo[f]quinolin-6-ylphenyl)-N-(4-benzo[f]quinolin-7-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine
CID 170404939
1-N-naphthalen-2-yl-3-N-(5-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 176588198
N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)chrysen-3-amine
CID 170130702
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292153
N-(4-phenanthren-9-ylphenyl)-N-[4-(4-phenanthren-9-ylphenyl)phenyl]naphthalen-2-amine
CID 166956443
N,N-bis(4-naphthalen-1-ylphenyl)-4-(7-phenylphenanthren-2-yl)aniline
CID 138742492
N-[4-(4,8-diphenylnaphthalen-1-yl)phenyl]-6-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-2-amine
CID 166589657
N,N-bis(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline;4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 163719367
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)chrysen-3-amine
CID 164747948
4-[4-[4-[6-[4-(4-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)-3-phenylphenyl]anilino)phenyl]naphthalen-1-yl]phenyl]phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)-3-phenylaniline
CID 146496903

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-cinnolin-8-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine?
The IUPAC name of N,N-bis(4-cinnolin-8-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine (CID 170404443) is N,N-bis(4-cinnolin-8-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine.
What is the SMILES notation for N,N-bis(4-cinnolin-8-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine?
The canonical SMILES for N,N-bis(4-cinnolin-8-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine is c1ccc2cc(-c3ccc4c(ccc5cc(N(c6ccc(-c7cccc8ccnnc78)cc6)c6ccc(-c7cccc8ccnnc78)cc6)ccc54)c3)ccc2c1.
What is the InChIKey of N,N-bis(4-cinnolin-8-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine?
The InChIKey is RTBJFUFKRZKDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N5/c1-2-6-39-31-40(12-11-34(39)5-1)41-19-25-47-42(32-41)13-14-43-33-46(24-26-48(43)47)57(44-20-15-35(16-21-44)49-9-3-7-37-27-29-53-55-51(37)49)45-22-17-36(18-23-45)50-10-4-8-38-28-30-54-56-52(38)50/h1-33H.
What are the key properties of N,N-bis(4-cinnolin-8-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine?
N,N-bis(4-cinnolin-8-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine has a molecular weight of 727.87 g/mol, XLogP of 13.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-cinnolin-8-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine is sourced from PubChem (CID 170404443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).