N-[4-[4-[N-(9bH-phenalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-9bH-phenalen-2-amine

C50H36N2 — CID 122448830

IUPACN-[4-[4-[N-(9bH-phenalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-9bH-phenalen-2-amine
SMILESC1=CC2=CC=CC3=CC(N(c4ccccc4)c4ccc(-c5ccc(N(C6=CC7=CC=CC8=CC=CC(=C6)C87)c6ccccc6)cc5)cc4)=CC(=C1)C23
InChIInChI=1S/C50H36N2/c1-3-19-43(20-4-1)51(47-31-39-15-7-11-37-12-8-16-40(32-47)49(37)39)45-27-23-35(24-28-45)36-25-29-46(30-26-36)52(44-21-5-2-6-22-44)48-33-41-17-9-13-38-14-10-18-42(34-48)50(38)41/h1-34,49-50H
InChIKeyBMCPURVLBPKMFZ-UHFFFAOYSA-N
MW664.85 g/mol
LogP12.49
Rot. Bonds7

About N-[4-[4-[N-(9bH-phenalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-9bH-phenalen-2-amine

N-[4-[4-[N-(9bH-phenalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-9bH-phenalen-2-amine (PubChem CID 122448830) has the molecular formula C50H36N2 and a molecular weight of 664.85 g/mol. Its IUPAC name is N-[4-[4-[N-(9bH-phenalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-9bH-phenalen-2-amine.

Molecular Properties

Compound NameN-[4-[4-[N-(9bH-phenalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-9bH-phenalen-2-amine
PubChem CID122448830
Molecular FormulaC50H36N2
Molecular Weight664.85 g/mol
Exact Mass664.29
IUPAC NameN-[4-[4-[N-(9bH-phenalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-9bH-phenalen-2-amine
SMILESC1=CC2=CC=CC3=CC(N(c4ccccc4)c4ccc(-c5ccc(N(C6=CC7=CC=CC8=CC=CC(=C6)C87)c6ccccc6)cc5)cc4)=CC(=C1)C23
InChIInChI=1S/C50H36N2/c1-3-19-43(20-4-1)51(47-31-39-15-7-11-37-12-8-16-40(32-47)49(37)39)45-27-23-35(24-28-45)36-25-29-46(30-26-36)52(44-21-5-2-6-22-44)48-33-41-17-9-13-38-14-10-18-42(34-48)50(38)41/h1-34,49-50H
InChIKeyBMCPURVLBPKMFZ-UHFFFAOYSA-N
XLogP12.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.85
LogP ≤ 512.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711
1-N-phenyl-4-N,4-N-bis(4-phenylphenyl)-1-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 59742279
N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane
CID 143515973

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[N-(9bH-phenalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-9bH-phenalen-2-amine?
The IUPAC name of N-[4-[4-[N-(9bH-phenalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-9bH-phenalen-2-amine (CID 122448830) is N-[4-[4-[N-(9bH-phenalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-9bH-phenalen-2-amine.
What is the SMILES notation for N-[4-[4-[N-(9bH-phenalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-9bH-phenalen-2-amine?
The canonical SMILES for N-[4-[4-[N-(9bH-phenalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-9bH-phenalen-2-amine is C1=CC2=CC=CC3=CC(N(c4ccccc4)c4ccc(-c5ccc(N(C6=CC7=CC=CC8=CC=CC(=C6)C87)c6ccccc6)cc5)cc4)=CC(=C1)C23.
What is the InChIKey of N-[4-[4-[N-(9bH-phenalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-9bH-phenalen-2-amine?
The InChIKey is BMCPURVLBPKMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2/c1-3-19-43(20-4-1)51(47-31-39-15-7-11-37-12-8-16-40(32-47)49(37)39)45-27-23-35(24-28-45)36-25-29-46(30-26-36)52(44-21-5-2-6-22-44)48-33-41-17-9-13-38-14-10-18-42(34-48)50(38)41/h1-34,49-50H.
What are the key properties of N-[4-[4-[N-(9bH-phenalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-9bH-phenalen-2-amine?
N-[4-[4-[N-(9bH-phenalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-9bH-phenalen-2-amine has a molecular weight of 664.85 g/mol, XLogP of 12.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[N-(9bH-phenalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-9bH-phenalen-2-amine is sourced from PubChem (CID 122448830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).