N-[4-(4-anthracen-2-ylphenyl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]naphthalen-2-amine

C55H36N2O — CID 165150218

IUPACN-[4-(4-anthracen-2-ylphenyl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]naphthalen-2-amine
SMILESc1ccc2cc(N(c3ccc(-c4ccc(-c5ccc6cc7ccccc7cc6c5)cc4)cc3)c3ccc(-c4ccc(-c5nc6ccccc6o5)cc4)cc3)ccc2c1
InChIInChI=1S/C55H36N2O/c1-2-10-46-36-52(32-27-37(46)7-1)57(51-30-25-41(26-31-51)39-17-19-43(20-18-39)55-56-53-11-5-6-12-54(53)58-55)50-28-23-40(24-29-50)38-13-15-42(16-14-38)47-21-22-48-33-44-8-3-4-9-45(44)34-49(48)35-47/h1-36H
InChIKeyURNSMMVXGIIGDU-UHFFFAOYSA-N
MW740.91 g/mol
LogP15.43
Rot. Bonds7

About N-[4-(4-anthracen-2-ylphenyl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]naphthalen-2-amine

N-[4-(4-anthracen-2-ylphenyl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]naphthalen-2-amine (PubChem CID 165150218) has the molecular formula C55H36N2O and a molecular weight of 740.91 g/mol. Its IUPAC name is N-[4-(4-anthracen-2-ylphenyl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-(4-anthracen-2-ylphenyl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]naphthalen-2-amine
PubChem CID165150218
Molecular FormulaC55H36N2O
Molecular Weight740.91 g/mol
Exact Mass740.28
IUPAC NameN-[4-(4-anthracen-2-ylphenyl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]naphthalen-2-amine
SMILESc1ccc2cc(N(c3ccc(-c4ccc(-c5ccc6cc7ccccc7cc6c5)cc4)cc3)c3ccc(-c4ccc(-c5nc6ccccc6o5)cc4)cc3)ccc2c1
InChIInChI=1S/C55H36N2O/c1-2-10-46-36-52(32-27-37(46)7-1)57(51-30-25-41(26-31-51)39-17-19-43(20-18-39)55-56-53-11-5-6-12-54(53)58-55)50-28-23-40(24-29-50)38-13-15-42(16-14-38)47-21-22-48-33-44-8-3-4-9-45(44)34-49(48)35-47/h1-36H
InChIKeyURNSMMVXGIIGDU-UHFFFAOYSA-N
XLogP15.43
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.91
LogP ≤ 515.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-N-naphthalen-2-ylanthracen-1-amine
CID 165150263
4-anthracen-2-yl-N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3-isocyanoaniline
CID 165150291
7-[4-[4-(1,3-benzoxazol-2-yl)-N-naphthalen-2-ylanilino]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 155473486
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]phenanthren-2-amine
CID 155402825
N-[4-[4-[4-(1,3-benzoxazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-1-amine;N-[4-[4-[4-[4-(1,3-benzoxazol-2-yl)-N-naphthalen-2-ylanilino]phenyl]phenyl]phenyl]-N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine;4-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[4-(N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 159976801
N,N-bis(4-benzo[f][1,3]benzoxazol-2-ylphenyl)-4-(1,3-benzoxazol-2-yl)aniline
CID 163542114
N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-(4-cinnolin-4-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine
CID 170404598
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 59707538
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 155402925
6-([1]benzofuro[3,2-b]quinoxalin-3-yl)-N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine
CID 168765740
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-naphthalen-2-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline
CID 171463408
6-naphthalen-2-yl-N,N-bis(4-naphtho[2,1-f][1,3]benzoxazol-9-ylphenyl)naphthalen-2-amine
CID 164939320

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-anthracen-2-ylphenyl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]naphthalen-2-amine?
The IUPAC name of N-[4-(4-anthracen-2-ylphenyl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]naphthalen-2-amine (CID 165150218) is N-[4-(4-anthracen-2-ylphenyl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]naphthalen-2-amine.
What is the SMILES notation for N-[4-(4-anthracen-2-ylphenyl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]naphthalen-2-amine?
The canonical SMILES for N-[4-(4-anthracen-2-ylphenyl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]naphthalen-2-amine is c1ccc2cc(N(c3ccc(-c4ccc(-c5ccc6cc7ccccc7cc6c5)cc4)cc3)c3ccc(-c4ccc(-c5nc6ccccc6o5)cc4)cc3)ccc2c1.
What is the InChIKey of N-[4-(4-anthracen-2-ylphenyl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]naphthalen-2-amine?
The InChIKey is URNSMMVXGIIGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2O/c1-2-10-46-36-52(32-27-37(46)7-1)57(51-30-25-41(26-31-51)39-17-19-43(20-18-39)55-56-53-11-5-6-12-54(53)58-55)50-28-23-40(24-29-50)38-13-15-42(16-14-38)47-21-22-48-33-44-8-3-4-9-45(44)34-49(48)35-47/h1-36H.
What are the key properties of N-[4-(4-anthracen-2-ylphenyl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]naphthalen-2-amine?
N-[4-(4-anthracen-2-ylphenyl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]naphthalen-2-amine has a molecular weight of 740.91 g/mol, XLogP of 15.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-anthracen-2-ylphenyl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 165150218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).