N,4-diphenyl-N-[4-(9,9,10-triphenylacridin-3-yl)phenyl]aniline

C55H40N2 — CID 121259178

IUPACN,4-diphenyl-N-[4-(9,9,10-triphenylacridin-3-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)N(c4ccccc4)c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C55H40N2/c1-6-18-41(19-7-1)42-30-35-49(36-31-42)56(47-24-12-4-13-25-47)50-37-32-43(33-38-50)44-34-39-52-54(40-44)57(48-26-14-5-15-27-48)53-29-17-16-28-51(53)55(52,45-20-8-2-9-21-45)46-22-10-3-11-23-46/h1-40H
InChIKeyUTTGQWCPGYTZJY-UHFFFAOYSA-N
MW728.94 g/mol
LogP14.66
Rot. Bonds8

About N,4-diphenyl-N-[4-(9,9,10-triphenylacridin-3-yl)phenyl]aniline

N,4-diphenyl-N-[4-(9,9,10-triphenylacridin-3-yl)phenyl]aniline (PubChem CID 121259178) has the molecular formula C55H40N2 and a molecular weight of 728.94 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-(9,9,10-triphenylacridin-3-yl)phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-(9,9,10-triphenylacridin-3-yl)phenyl]aniline
PubChem CID121259178
Molecular FormulaC55H40N2
Molecular Weight728.94 g/mol
Exact Mass728.32
IUPAC NameN,4-diphenyl-N-[4-(9,9,10-triphenylacridin-3-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)N(c4ccccc4)c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C55H40N2/c1-6-18-41(19-7-1)42-30-35-49(36-31-42)56(47-24-12-4-13-25-47)50-37-32-43(33-38-50)44-34-39-52-54(40-44)57(48-26-14-5-15-27-48)53-29-17-16-28-51(53)55(52,45-20-8-2-9-21-45)46-22-10-3-11-23-46/h1-40H
InChIKeyUTTGQWCPGYTZJY-UHFFFAOYSA-N
XLogP14.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.94
LogP ≤ 514.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,4-diphenyl-N-[4-(9,9,10-triphenylacridin-3-yl)phenyl]aniline with MolForge

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Related Compounds

4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline
CID 121258967
9,9,10-triphenyl-N-(4-phenylphenyl)-N-(4-pyridin-2-ylphenyl)acridin-3-amine
CID 121259026
N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline
CID 121258973
10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine
CID 59470076
3-(3-bromophenyl)-9,9,10-triphenylacridine
CID 121259219
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3-(9,9,10-triphenylacridin-3-yl)aniline;N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3-(9,9,10-triphenylacridin-3-yl)aniline;N-phenyl-3-(9-phenylcarbazol-3-yl)-N-[3-(9,9,10-triphenylacridin-3-yl)phenyl]aniline;N-(4-phenylphenyl)-N-(4-pyridin-4-ylphenyl)-3-(9,9,10-triphenylacridin-3-yl)aniline
CID 159826342
N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 155240909
N-(9,9-diphenylfluoren-2-yl)-1,13-diphenyl-N-(3-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine
CID 168750647
N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine;N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(2-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine;N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(3-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 158938491
N,1,11,13-tetraphenyl-N-(4-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine
CID 168750833
N,1,11,13-tetraphenyl-N-(3-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine
CID 168750689
CID 155427843
CID 155427843

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-(9,9,10-triphenylacridin-3-yl)phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-(9,9,10-triphenylacridin-3-yl)phenyl]aniline (CID 121259178) is N,4-diphenyl-N-[4-(9,9,10-triphenylacridin-3-yl)phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-(9,9,10-triphenylacridin-3-yl)phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-(9,9,10-triphenylacridin-3-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)N(c4ccccc4)c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-(9,9,10-triphenylacridin-3-yl)phenyl]aniline?
The InChIKey is UTTGQWCPGYTZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2/c1-6-18-41(19-7-1)42-30-35-49(36-31-42)56(47-24-12-4-13-25-47)50-37-32-43(33-38-50)44-34-39-52-54(40-44)57(48-26-14-5-15-27-48)53-29-17-16-28-51(53)55(52,45-20-8-2-9-21-45)46-22-10-3-11-23-46/h1-40H.
What are the key properties of N,4-diphenyl-N-[4-(9,9,10-triphenylacridin-3-yl)phenyl]aniline?
N,4-diphenyl-N-[4-(9,9,10-triphenylacridin-3-yl)phenyl]aniline has a molecular weight of 728.94 g/mol, XLogP of 14.66, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-N-[4-(9,9,10-triphenylacridin-3-yl)phenyl]aniline is sourced from PubChem (CID 121259178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).