N,N-bis(3-naphthalen-2-ylphenyl)triphenylen-2-amine

C50H33N — CID 166845961

IUPACN,N-bis(3-naphthalen-2-ylphenyl)triphenylen-2-amine
SMILESc1cc(-c2ccc3ccccc3c2)cc(N(c2cccc(-c3ccc4ccccc4c3)c2)c2ccc3c4ccccc4c4ccccc4c3c2)c1
InChIInChI=1S/C50H33N/c1-3-13-36-29-40(25-23-34(36)11-1)38-15-9-17-42(31-38)51(43-18-10-16-39(32-43)41-26-24-35-12-2-4-14-37(35)30-41)44-27-28-49-47-21-6-5-19-45(47)46-20-7-8-22-48(46)50(49)33-44/h1-33H
InChIKeyUSSCUXWDUZDFBF-UHFFFAOYSA-N
MW647.82 g/mol
LogP14.26
Rot. Bonds5

About N,N-bis(3-naphthalen-2-ylphenyl)triphenylen-2-amine

N,N-bis(3-naphthalen-2-ylphenyl)triphenylen-2-amine (PubChem CID 166845961) has the molecular formula C50H33N and a molecular weight of 647.82 g/mol. Its IUPAC name is N,N-bis(3-naphthalen-2-ylphenyl)triphenylen-2-amine.

Molecular Properties

Compound NameN,N-bis(3-naphthalen-2-ylphenyl)triphenylen-2-amine
PubChem CID166845961
Molecular FormulaC50H33N
Molecular Weight647.82 g/mol
Exact Mass647.26
IUPAC NameN,N-bis(3-naphthalen-2-ylphenyl)triphenylen-2-amine
SMILESc1cc(-c2ccc3ccccc3c2)cc(N(c2cccc(-c3ccc4ccccc4c3)c2)c2ccc3c4ccccc4c4ccccc4c3c2)c1
InChIInChI=1S/C50H33N/c1-3-13-36-29-40(25-23-34(36)11-1)38-15-9-17-42(31-38)51(43-18-10-16-39(32-43)41-26-24-35-12-2-4-14-37(35)30-41)44-27-28-49-47-21-6-5-19-45(47)46-20-7-8-22-48(46)50(49)33-44/h1-33H
InChIKeyUSSCUXWDUZDFBF-UHFFFAOYSA-N
XLogP14.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.82
LogP ≤ 514.26
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

10-phenyl-N-[7-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(3-phenylphenyl)phenanthren-3-amine
CID 174257838
3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 167236634
N-(3-naphthalen-2-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062788
N-(4-chrysen-6-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine
CID 170135686
N-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135464
7-[3-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)triphenylen-2-amine
CID 88884899
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 166565645
3-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167323928
N-(3-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]phenanthren-1-amine
CID 167272714
9-naphthalen-2-yl-2-N,6-N-diphenyl-2-N,6-N,10-tris(3-phenylphenyl)anthracene-2,6-diamine
CID 59766227
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)benzo[g]phenanthren-3-amine
CID 167181833
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)chrysen-3-amine
CID 164747948

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-naphthalen-2-ylphenyl)triphenylen-2-amine?
The IUPAC name of N,N-bis(3-naphthalen-2-ylphenyl)triphenylen-2-amine (CID 166845961) is N,N-bis(3-naphthalen-2-ylphenyl)triphenylen-2-amine.
What is the SMILES notation for N,N-bis(3-naphthalen-2-ylphenyl)triphenylen-2-amine?
The canonical SMILES for N,N-bis(3-naphthalen-2-ylphenyl)triphenylen-2-amine is c1cc(-c2ccc3ccccc3c2)cc(N(c2cccc(-c3ccc4ccccc4c3)c2)c2ccc3c4ccccc4c4ccccc4c3c2)c1.
What is the InChIKey of N,N-bis(3-naphthalen-2-ylphenyl)triphenylen-2-amine?
The InChIKey is USSCUXWDUZDFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N/c1-3-13-36-29-40(25-23-34(36)11-1)38-15-9-17-42(31-38)51(43-18-10-16-39(32-43)41-26-24-35-12-2-4-14-37(35)30-41)44-27-28-49-47-21-6-5-19-45(47)46-20-7-8-22-48(46)50(49)33-44/h1-33H.
What are the key properties of N,N-bis(3-naphthalen-2-ylphenyl)triphenylen-2-amine?
N,N-bis(3-naphthalen-2-ylphenyl)triphenylen-2-amine has a molecular weight of 647.82 g/mol, XLogP of 14.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-naphthalen-2-ylphenyl)triphenylen-2-amine is sourced from PubChem (CID 166845961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).