2-(9,9-dimethyl-10-phenylacridin-3-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline

C57H43N3 — CID 121259166

IUPAC2-(9,9-dimethyl-10-phenylacridin-3-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3ccccc3N(c3ccccc3)c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)ccc21
InChIInChI=1S/C57H43N3/c1-57(2)50-29-14-17-32-55(50)60(45-24-10-5-11-25-45)56-39-42(33-35-51(56)57)47-27-12-15-30-52(47)58(43-20-6-3-7-21-43)46-26-18-19-40(37-46)41-34-36-54-49(38-41)48-28-13-16-31-53(48)59(54)44-22-8-4-9-23-44/h3-39H,1-2H3
InChIKeyLJGNFLFFSQQEPU-UHFFFAOYSA-N
MW769.99 g/mol
LogP15.70
Rot. Bonds7

About 2-(9,9-dimethyl-10-phenylacridin-3-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline

2-(9,9-dimethyl-10-phenylacridin-3-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline (PubChem CID 121259166) has the molecular formula C57H43N3 and a molecular weight of 769.99 g/mol. Its IUPAC name is 2-(9,9-dimethyl-10-phenylacridin-3-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline.

Molecular Properties

Compound Name2-(9,9-dimethyl-10-phenylacridin-3-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
PubChem CID121259166
Molecular FormulaC57H43N3
Molecular Weight769.99 g/mol
Exact Mass769.35
IUPAC Name2-(9,9-dimethyl-10-phenylacridin-3-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3ccccc3N(c3ccccc3)c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)ccc21
InChIInChI=1S/C57H43N3/c1-57(2)50-29-14-17-32-55(50)60(45-24-10-5-11-25-45)56-39-42(33-35-51(56)57)47-27-12-15-30-52(47)58(43-20-6-3-7-21-43)46-26-18-19-40(37-46)41-34-36-54-49(38-41)48-28-13-16-31-53(48)59(54)44-22-8-4-9-23-44/h3-39H,1-2H3
InChIKeyLJGNFLFFSQQEPU-UHFFFAOYSA-N
XLogP15.70
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.99
LogP ≤ 515.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9,9-dimethyl-10-phenylacridin-3-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline;2-(9,9-dimethyl-10-phenylacridin-3-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N,N,9,9,10-pentakis-phenylacridin-3-amine;9,9,10-triphenyl-N,N-bis(4-phenylphenyl)acridin-3-amine
CID 159220979
9,9-diphenyl-N-(4-phenylphenyl)-N-[2-(9,9,10-triphenylacridin-3-yl)phenyl]fluoren-2-amine;N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-(9,9,10-triphenylacridin-3-yl)aniline;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-(9,9,10-triphenylacridin-3-yl)aniline
CID 158038335
N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
CID 139567817
3-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118289088
N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline
CID 121258973
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-phenylphenyl)fluoren-2-amine
CID 162059824
N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502793
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylaniline;2-phenyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;2-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 158204517
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 59171718
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]phenyl]aniline
CID 90201353
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]aniline
CID 90201363

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethyl-10-phenylacridin-3-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline?
The IUPAC name of 2-(9,9-dimethyl-10-phenylacridin-3-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline (CID 121259166) is 2-(9,9-dimethyl-10-phenylacridin-3-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline.
What is the SMILES notation for 2-(9,9-dimethyl-10-phenylacridin-3-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline?
The canonical SMILES for 2-(9,9-dimethyl-10-phenylacridin-3-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline is CC1(C)c2ccccc2N(c2ccccc2)c2cc(-c3ccccc3N(c3ccccc3)c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)ccc21.
What is the InChIKey of 2-(9,9-dimethyl-10-phenylacridin-3-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline?
The InChIKey is LJGNFLFFSQQEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43N3/c1-57(2)50-29-14-17-32-55(50)60(45-24-10-5-11-25-45)56-39-42(33-35-51(56)57)47-27-12-15-30-52(47)58(43-20-6-3-7-21-43)46-26-18-19-40(37-46)41-34-36-54-49(38-41)48-28-13-16-31-53(48)59(54)44-22-8-4-9-23-44/h3-39H,1-2H3.
What are the key properties of 2-(9,9-dimethyl-10-phenylacridin-3-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline?
2-(9,9-dimethyl-10-phenylacridin-3-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline has a molecular weight of 769.99 g/mol, XLogP of 15.70, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethyl-10-phenylacridin-3-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline is sourced from PubChem (CID 121259166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).