N,N-bis(4-phenylphenyl)-6-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]pyridin-3-amine

C55H46N2 — CID 118178096

IUPACN,N-bis(4-phenylphenyl)-6-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]pyridin-3-amine
SMILESc1ccc(-c2ccc(-c3c4c(c(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cn5)c5c3CCCC5)CCCC4)cc2)cc1
InChIInChI=1S/C55H46N2/c1-4-14-39(15-5-1)42-24-26-45(27-25-42)54-49-20-10-12-22-51(49)55(52-23-13-11-21-50(52)54)53-37-36-48(38-56-53)57(46-32-28-43(29-33-46)40-16-6-2-7-17-40)47-34-30-44(31-35-47)41-18-8-3-9-19-41/h1-9,14-19,24-38H,10-13,20-23H2
InChIKeyCAVIJJMBVXFUQY-UHFFFAOYSA-N
MW734.99 g/mol
LogP14.64
Rot. Bonds8

About N,N-bis(4-phenylphenyl)-6-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]pyridin-3-amine

N,N-bis(4-phenylphenyl)-6-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]pyridin-3-amine (PubChem CID 118178096) has the molecular formula C55H46N2 and a molecular weight of 734.99 g/mol. Its IUPAC name is N,N-bis(4-phenylphenyl)-6-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]pyridin-3-amine.

Molecular Properties

Compound NameN,N-bis(4-phenylphenyl)-6-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]pyridin-3-amine
PubChem CID118178096
Molecular FormulaC55H46N2
Molecular Weight734.99 g/mol
Exact Mass734.37
IUPAC NameN,N-bis(4-phenylphenyl)-6-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]pyridin-3-amine
SMILESc1ccc(-c2ccc(-c3c4c(c(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cn5)c5c3CCCC5)CCCC4)cc2)cc1
InChIInChI=1S/C55H46N2/c1-4-14-39(15-5-1)42-24-26-45(27-25-42)54-49-20-10-12-22-51(49)55(52-23-13-11-21-50(52)54)53-37-36-48(38-56-53)57(46-32-28-43(29-33-46)40-16-6-2-7-17-40)47-34-30-44(31-35-47)41-18-8-3-9-19-41/h1-9,14-19,24-38H,10-13,20-23H2
InChIKeyCAVIJJMBVXFUQY-UHFFFAOYSA-N
XLogP14.64
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.99
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-(4-phenylphenyl)-N-[4-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]phenyl]aniline
CID 118178056
5-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 118178106
N-[4-(4-bromophenyl)phenyl]-N,6-diphenylpyridin-3-amine
CID 134182572
1-N,4-N-bis[4-(1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-1-N,4-N-bis(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)benzene-1,4-diamine
CID 118180101
N-naphthalen-2-yl-6-[2-[4-(N-naphthalen-2-ylanilino)phenyl]-3,4,5,6-tetraphenylphenyl]-N-phenylpyridin-3-amine
CID 102222161
N-[4-(10-dibenzofuran-3-yl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118178078
9-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N,N-bis(4-phenylphenyl)perylen-3-amine
CID 118178093
N,N-bis(4-phenylphenyl)-10-pyren-2-yl-1,2,3,4,5,6,7,8-octahydroanthracen-9-amine
CID 118178040
N-[4-[1-methyl-5-[4-(4-phenyl-N-(6-phenyl-3-pyridinyl)anilino)phenyl]pyrrol-2-yl]phenyl]-6-phenyl-N-(4-phenylphenyl)pyridin-3-amine
CID 122659641
6-bromo-N,N-bis(4-phenylphenyl)pyridin-3-amine
CID 121383405
N-[4-[2-methyl-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-4,5,6,7-tetrahydroisoindol-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90058045
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 89266505

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-phenylphenyl)-6-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]pyridin-3-amine?
The IUPAC name of N,N-bis(4-phenylphenyl)-6-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]pyridin-3-amine (CID 118178096) is N,N-bis(4-phenylphenyl)-6-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]pyridin-3-amine.
What is the SMILES notation for N,N-bis(4-phenylphenyl)-6-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]pyridin-3-amine?
The canonical SMILES for N,N-bis(4-phenylphenyl)-6-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]pyridin-3-amine is c1ccc(-c2ccc(-c3c4c(c(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cn5)c5c3CCCC5)CCCC4)cc2)cc1.
What is the InChIKey of N,N-bis(4-phenylphenyl)-6-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]pyridin-3-amine?
The InChIKey is CAVIJJMBVXFUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H46N2/c1-4-14-39(15-5-1)42-24-26-45(27-25-42)54-49-20-10-12-22-51(49)55(52-23-13-11-21-50(52)54)53-37-36-48(38-56-53)57(46-32-28-43(29-33-46)40-16-6-2-7-17-40)47-34-30-44(31-35-47)41-18-8-3-9-19-41/h1-9,14-19,24-38H,10-13,20-23H2.
What are the key properties of N,N-bis(4-phenylphenyl)-6-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]pyridin-3-amine?
N,N-bis(4-phenylphenyl)-6-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]pyridin-3-amine has a molecular weight of 734.99 g/mol, XLogP of 14.64, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-phenylphenyl)-6-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]pyridin-3-amine is sourced from PubChem (CID 118178096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).