N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;1-N,5-N-dinaphthalen-1-yl-1-N,5-N-diphenylnaphthalene-1,5-diamine

C94H66N4 — CID 159472153

IUPACN-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;1-N,5-N-dinaphthalen-1-yl-1-N,5-N-diphenylnaphthalene-1,5-diamine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4c5ccccc5cc5ccccc45)cc3)cc2)c2c3ccccc3cc3ccccc23)cc1.c1ccc(N(c2cccc3ccccc23)c2cccc3c(N(c4ccccc4)c4cccc5ccccc45)cccc23)cc1
InChIInChI=1S/C52H36N2.C42H30N2/c1-3-19-43(20-4-1)53(51-47-23-11-7-15-39(47)35-40-16-8-12-24-48(40)51)45-31-27-37(28-32-45)38-29-33-46(34-30-38)54(44-21-5-2-6-22-44)52-49-25-13-9-17-41(49)36-42-18-10-14-26-50(42)52;1-3-19-33(20-4-1)43(39-27-11-17-31-15-7-9-23-35(31)39)41-29-13-26-38-37(41)25-14-30-42(38)44(34-21-5-2-6-22-34)40-28-12-18-32-16-8-10-24-36(32)40/h1-36H;1-30H
InChIKeyLVYBELRAHGTYMW-UHFFFAOYSA-N
MW1251.59 g/mol
LogP26.99
Rot. Bonds13

About N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;1-N,5-N-dinaphthalen-1-yl-1-N,5-N-diphenylnaphthalene-1,5-diamine

N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;1-N,5-N-dinaphthalen-1-yl-1-N,5-N-diphenylnaphthalene-1,5-diamine (PubChem CID 159472153) has the molecular formula C94H66N4 and a molecular weight of 1251.59 g/mol. Its IUPAC name is N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;1-N,5-N-dinaphthalen-1-yl-1-N,5-N-diphenylnaphthalene-1,5-diamine.

Molecular Properties

Compound NameN-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;1-N,5-N-dinaphthalen-1-yl-1-N,5-N-diphenylnaphthalene-1,5-diamine
PubChem CID159472153
Molecular FormulaC94H66N4
Molecular Weight1251.59 g/mol
Exact Mass1250.53
IUPAC NameN-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;1-N,5-N-dinaphthalen-1-yl-1-N,5-N-diphenylnaphthalene-1,5-diamine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4c5ccccc5cc5ccccc45)cc3)cc2)c2c3ccccc3cc3ccccc23)cc1.c1ccc(N(c2cccc3ccccc23)c2cccc3c(N(c4ccccc4)c4cccc5ccccc45)cccc23)cc1
InChIInChI=1S/C52H36N2.C42H30N2/c1-3-19-43(20-4-1)53(51-47-23-11-7-15-39(47)35-40-16-8-12-24-48(40)51)45-31-27-37(28-32-45)38-29-33-46(34-30-38)54(44-21-5-2-6-22-44)52-49-25-13-9-17-41(49)36-42-18-10-14-26-50(42)52;1-3-19-33(20-4-1)43(39-27-11-17-31-15-7-9-23-35(31)39)41-29-13-26-38-37(41)25-14-30-42(38)44(34-21-5-2-6-22-34)40-28-12-18-32-16-8-10-24-36(32)40/h1-36H;1-30H
InChIKeyLVYBELRAHGTYMW-UHFFFAOYSA-N
XLogP26.99
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001251.59
LogP ≤ 526.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;N-[4-[4-[4-(N-anthracen-1-ylanilino)phenyl]phenyl]phenyl]-N-phenylanthracen-1-amine
CID 162182547
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;N-[4-[4-[N-(1,2-dihydroacenaphthylen-3-yl)anilino]phenyl]phenyl]-N-phenyl-1,2-dihydroacenaphthylen-3-amine;1-N,5-N-dinaphthalen-1-yl-1-N,5-N-diphenylnaphthalene-1,5-diamine
CID 160642479
N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]-N-methylanthracen-9-amine;N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[4-[4-(N-methyl-4-phenylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 160818621
N-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 161384258
N-[4-[4-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 162077665
N-(4-phenylphenyl)-N-[4-[4-[4-(N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]naphthalen-1-amine
CID 58729730
N-[4-[4-[N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-4-[4-[4-(N-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 155471012
N,N-diphenyl-4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]aniline;N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 160952409
N-phenyl-N-[4-[4-(4-phenyl-N-[4-[4-[4-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 134455282

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;1-N,5-N-dinaphthalen-1-yl-1-N,5-N-diphenylnaphthalene-1,5-diamine?
The IUPAC name of N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;1-N,5-N-dinaphthalen-1-yl-1-N,5-N-diphenylnaphthalene-1,5-diamine (CID 159472153) is N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;1-N,5-N-dinaphthalen-1-yl-1-N,5-N-diphenylnaphthalene-1,5-diamine.
What is the SMILES notation for N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;1-N,5-N-dinaphthalen-1-yl-1-N,5-N-diphenylnaphthalene-1,5-diamine?
The canonical SMILES for N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;1-N,5-N-dinaphthalen-1-yl-1-N,5-N-diphenylnaphthalene-1,5-diamine is c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4c5ccccc5cc5ccccc45)cc3)cc2)c2c3ccccc3cc3ccccc23)cc1.c1ccc(N(c2cccc3ccccc23)c2cccc3c(N(c4ccccc4)c4cccc5ccccc45)cccc23)cc1.
What is the InChIKey of N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;1-N,5-N-dinaphthalen-1-yl-1-N,5-N-diphenylnaphthalene-1,5-diamine?
The InChIKey is LVYBELRAHGTYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2.C42H30N2/c1-3-19-43(20-4-1)53(51-47-23-11-7-15-39(47)35-40-16-8-12-24-48(40)51)45-31-27-37(28-32-45)38-29-33-46(34-30-38)54(44-21-5-2-6-22-44)52-49-25-13-9-17-41(49)36-42-18-10-14-26-50(42)52;1-3-19-33(20-4-1)43(39-27-11-17-31-15-7-9-23-35(31)39)41-29-13-26-38-37(41)25-14-30-42(38)44(34-21-5-2-6-22-34)40-28-12-18-32-16-8-10-24-36(32)40/h1-36H;1-30H.
What are the key properties of N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;1-N,5-N-dinaphthalen-1-yl-1-N,5-N-diphenylnaphthalene-1,5-diamine?
N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;1-N,5-N-dinaphthalen-1-yl-1-N,5-N-diphenylnaphthalene-1,5-diamine has a molecular weight of 1251.59 g/mol, XLogP of 26.99, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-anthracen-9-ylanilino)phenyl]phenyl]-N-phenylanthracen-9-amine;1-N,5-N-dinaphthalen-1-yl-1-N,5-N-diphenylnaphthalene-1,5-diamine is sourced from PubChem (CID 159472153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).