9-N-naphthalen-2-yl-9-N,10-N,10-N,6-tetraphenyl-1,2-dihydroanthracene-9,10-diamine

C48H36N2 — CID 70881589

IUPAC9-N-naphthalen-2-yl-9-N,10-N,10-N,6-tetraphenyl-1,2-dihydroanthracene-9,10-diamine
SMILESC1=Cc2c(c(N(c3ccccc3)c3ccc4ccccc4c3)c3ccc(-c4ccccc4)cc3c2N(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C48H36N2/c1-5-17-35(18-6-1)38-30-32-45-46(34-38)48(49(39-21-7-2-8-22-39)40-23-9-3-10-24-40)44-28-16-15-27-43(44)47(45)50(41-25-11-4-12-26-41)42-31-29-36-19-13-14-20-37(36)33-42/h1-14,16-26,28-34H,15,27H2
InChIKeyKOSHKOPDJPFYRF-UHFFFAOYSA-N
MW640.83 g/mol
LogP13.56
Rot. Bonds7

About 9-N-naphthalen-2-yl-9-N,10-N,10-N,6-tetraphenyl-1,2-dihydroanthracene-9,10-diamine

9-N-naphthalen-2-yl-9-N,10-N,10-N,6-tetraphenyl-1,2-dihydroanthracene-9,10-diamine (PubChem CID 70881589) has the molecular formula C48H36N2 and a molecular weight of 640.83 g/mol. Its IUPAC name is 9-N-naphthalen-2-yl-9-N,10-N,10-N,6-tetraphenyl-1,2-dihydroanthracene-9,10-diamine.

Molecular Properties

Compound Name9-N-naphthalen-2-yl-9-N,10-N,10-N,6-tetraphenyl-1,2-dihydroanthracene-9,10-diamine
PubChem CID70881589
Molecular FormulaC48H36N2
Molecular Weight640.83 g/mol
Exact Mass640.29
IUPAC Name9-N-naphthalen-2-yl-9-N,10-N,10-N,6-tetraphenyl-1,2-dihydroanthracene-9,10-diamine
SMILESC1=Cc2c(c(N(c3ccccc3)c3ccc4ccccc4c3)c3ccc(-c4ccccc4)cc3c2N(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C48H36N2/c1-5-17-35(18-6-1)38-30-32-45-46(34-38)48(49(39-21-7-2-8-22-39)40-23-9-3-10-24-40)44-28-16-15-27-43(44)47(45)50(41-25-11-4-12-26-41)42-31-29-36-19-13-14-20-37(36)33-42/h1-14,16-26,28-34H,15,27H2
InChIKeyKOSHKOPDJPFYRF-UHFFFAOYSA-N
XLogP13.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.83
LogP ≤ 513.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}

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Related Compounds

9-N-[4-[7-[[10-(dinaphthalen-2-ylamino)-6-phenyl-3,4-dihydroanthracen-9-yl]-naphthalen-2-ylamino]naphthalen-2-yl]phenyl]-9-N,10-N,10-N,2-tetraphenylanthracene-9,10-diamine
CID 91240988
1-N-(7,8-dihydronaphthalen-2-yl)-4-N-naphthalen-2-yl-1-N,4-N-bis(4-phenylphenyl)-5,6-dihydronaphthalene-1,4-diamine
CID 143254534
9-N,10-N-di(dibenzofuran-3-yl)-9-N,10-N-dinaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine
CID 89254148
10-N-cyclohexa-1,5-dien-1-yl-9-N,9-N,10-N,2-tetraphenylanthracene-9,10-diamine
CID 89189854
N-[4-[10-(5,6-dihydronaphthalen-1-yl)-2,4,7-triphenyltriphenylen-1-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 89083534
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-phenylnaphthalen-2-amine
CID 167183726
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
N-(3-phenanthren-3-ylphenyl)-N-(4-phenanthren-3-ylphenyl)-8,9-dihydrodibenzothiophen-3-amine
CID 142614622
9-N,9-N-dinaphthalen-2-yl-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6,9-triamine
CID 90194200

Frequently Asked Questions

What is the IUPAC name of 9-N-naphthalen-2-yl-9-N,10-N,10-N,6-tetraphenyl-1,2-dihydroanthracene-9,10-diamine?
The IUPAC name of 9-N-naphthalen-2-yl-9-N,10-N,10-N,6-tetraphenyl-1,2-dihydroanthracene-9,10-diamine (CID 70881589) is 9-N-naphthalen-2-yl-9-N,10-N,10-N,6-tetraphenyl-1,2-dihydroanthracene-9,10-diamine.
What is the SMILES notation for 9-N-naphthalen-2-yl-9-N,10-N,10-N,6-tetraphenyl-1,2-dihydroanthracene-9,10-diamine?
The canonical SMILES for 9-N-naphthalen-2-yl-9-N,10-N,10-N,6-tetraphenyl-1,2-dihydroanthracene-9,10-diamine is C1=Cc2c(c(N(c3ccccc3)c3ccc4ccccc4c3)c3ccc(-c4ccccc4)cc3c2N(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 9-N-naphthalen-2-yl-9-N,10-N,10-N,6-tetraphenyl-1,2-dihydroanthracene-9,10-diamine?
The InChIKey is KOSHKOPDJPFYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2/c1-5-17-35(18-6-1)38-30-32-45-46(34-38)48(49(39-21-7-2-8-22-39)40-23-9-3-10-24-40)44-28-16-15-27-43(44)47(45)50(41-25-11-4-12-26-41)42-31-29-36-19-13-14-20-37(36)33-42/h1-14,16-26,28-34H,15,27H2.
What are the key properties of 9-N-naphthalen-2-yl-9-N,10-N,10-N,6-tetraphenyl-1,2-dihydroanthracene-9,10-diamine?
9-N-naphthalen-2-yl-9-N,10-N,10-N,6-tetraphenyl-1,2-dihydroanthracene-9,10-diamine has a molecular weight of 640.83 g/mol, XLogP of 13.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N-naphthalen-2-yl-9-N,10-N,10-N,6-tetraphenyl-1,2-dihydroanthracene-9,10-diamine is sourced from PubChem (CID 70881589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).