10-[7-[10,10-dimethyl-3-(N-phenylanilino)-9H-anthracen-9-yl]triphenylen-2-yl]-9,9-dimethyl-N,N-diphenylacridin-2-amine

C73H57N3 — CID 121475671

IUPAC10-[7-[10,10-dimethyl-3-(N-phenylanilino)-9H-anthracen-9-yl]triphenylen-2-yl]-9,9-dimethyl-N,N-diphenylacridin-2-amine
SMILESCC1(C)c2ccccc2C(c2ccc3c4ccc(N5c6ccccc6C(C)(C)c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4c4ccccc4c3c2)c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C73H57N3/c1-72(2)65-34-20-19-33-61(65)71(62-43-39-55(47-67(62)72)74(50-23-9-5-10-24-50)51-25-11-6-12-26-51)49-37-41-59-60-42-38-54(46-64(60)58-32-18-17-31-57(58)63(59)45-49)76-69-36-22-21-35-66(69)73(3,4)68-48-56(40-44-70(68)76)75(52-27-13-7-14-28-52)53-29-15-8-16-30-53/h5-48,71H,1-4H3
InChIKeyCZOSITYCFBJPLF-UHFFFAOYSA-N
MW976.28 g/mol
LogP20.01
Rot. Bonds8

About 10-[7-[10,10-dimethyl-3-(N-phenylanilino)-9H-anthracen-9-yl]triphenylen-2-yl]-9,9-dimethyl-N,N-diphenylacridin-2-amine

10-[7-[10,10-dimethyl-3-(N-phenylanilino)-9H-anthracen-9-yl]triphenylen-2-yl]-9,9-dimethyl-N,N-diphenylacridin-2-amine (PubChem CID 121475671) has the molecular formula C73H57N3 and a molecular weight of 976.28 g/mol. Its IUPAC name is 10-[7-[10,10-dimethyl-3-(N-phenylanilino)-9H-anthracen-9-yl]triphenylen-2-yl]-9,9-dimethyl-N,N-diphenylacridin-2-amine.

Molecular Properties

Compound Name10-[7-[10,10-dimethyl-3-(N-phenylanilino)-9H-anthracen-9-yl]triphenylen-2-yl]-9,9-dimethyl-N,N-diphenylacridin-2-amine
PubChem CID121475671
Molecular FormulaC73H57N3
Molecular Weight976.28 g/mol
Exact Mass975.46
IUPAC Name10-[7-[10,10-dimethyl-3-(N-phenylanilino)-9H-anthracen-9-yl]triphenylen-2-yl]-9,9-dimethyl-N,N-diphenylacridin-2-amine
SMILESCC1(C)c2ccccc2C(c2ccc3c4ccc(N5c6ccccc6C(C)(C)c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4c4ccccc4c3c2)c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C73H57N3/c1-72(2)65-34-20-19-33-61(65)71(62-43-39-55(47-67(62)72)74(50-23-9-5-10-24-50)51-25-11-6-12-26-51)49-37-41-59-60-42-38-54(46-64(60)58-32-18-17-31-57(58)63(59)45-49)76-69-36-22-21-35-66(69)73(3,4)68-48-56(40-44-70(68)76)75(52-27-13-7-14-28-52)53-29-15-8-16-30-53/h5-48,71H,1-4H3
InChIKeyCZOSITYCFBJPLF-UHFFFAOYSA-N
XLogP20.01
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500976.28
LogP ≤ 520.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-[10-(9-fluorophenanthren-2-yl)-9,9-dimethylacridin-2-yl]-N,N-diphenylaniline
CID 89457920
N-[4-[(E)-2-[4-(N-(9,9-dimethyl-10-phenylacridin-2-yl)anilino)phenyl]-1,2-diphenylethenyl]phenyl]-9,9-dimethyl-N,10-diphenylacridin-2-amine
CID 90268451
N-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline
CID 89457849
3-(9,9-dimethylacridin-10-yl)-6-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one
CID 121337021
24,24-dimethyl-N,N-diphenyl-17-pyridin-3-yl-17-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaen-21-amine
CID 144635152
9-[5-(9,9-dimethylacridin-10-yl)-2-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine
CID 90061389
7-(21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-N-naphthalen-1-yl-N-phenylphenanthren-2-amine
CID 146213041
2-carbazol-9-yl-10-[7-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)triphenylen-2-yl]-9,9-dimethylacridine
CID 144799051
N,N-bis[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]dibenzofuran-3-amine
CID 122425331
7,9,9-trimethyl-N,10-diphenyl-N-(4-phenylphenyl)acridin-2-amine
CID 144559423
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,10-diphenylacridin-3-amine
CID 121258957
N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline
CID 121258973

Frequently Asked Questions

What is the IUPAC name of 10-[7-[10,10-dimethyl-3-(N-phenylanilino)-9H-anthracen-9-yl]triphenylen-2-yl]-9,9-dimethyl-N,N-diphenylacridin-2-amine?
The IUPAC name of 10-[7-[10,10-dimethyl-3-(N-phenylanilino)-9H-anthracen-9-yl]triphenylen-2-yl]-9,9-dimethyl-N,N-diphenylacridin-2-amine (CID 121475671) is 10-[7-[10,10-dimethyl-3-(N-phenylanilino)-9H-anthracen-9-yl]triphenylen-2-yl]-9,9-dimethyl-N,N-diphenylacridin-2-amine.
What is the SMILES notation for 10-[7-[10,10-dimethyl-3-(N-phenylanilino)-9H-anthracen-9-yl]triphenylen-2-yl]-9,9-dimethyl-N,N-diphenylacridin-2-amine?
The canonical SMILES for 10-[7-[10,10-dimethyl-3-(N-phenylanilino)-9H-anthracen-9-yl]triphenylen-2-yl]-9,9-dimethyl-N,N-diphenylacridin-2-amine is CC1(C)c2ccccc2C(c2ccc3c4ccc(N5c6ccccc6C(C)(C)c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4c4ccccc4c3c2)c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 10-[7-[10,10-dimethyl-3-(N-phenylanilino)-9H-anthracen-9-yl]triphenylen-2-yl]-9,9-dimethyl-N,N-diphenylacridin-2-amine?
The InChIKey is CZOSITYCFBJPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H57N3/c1-72(2)65-34-20-19-33-61(65)71(62-43-39-55(47-67(62)72)74(50-23-9-5-10-24-50)51-25-11-6-12-26-51)49-37-41-59-60-42-38-54(46-64(60)58-32-18-17-31-57(58)63(59)45-49)76-69-36-22-21-35-66(69)73(3,4)68-48-56(40-44-70(68)76)75(52-27-13-7-14-28-52)53-29-15-8-16-30-53/h5-48,71H,1-4H3.
What are the key properties of 10-[7-[10,10-dimethyl-3-(N-phenylanilino)-9H-anthracen-9-yl]triphenylen-2-yl]-9,9-dimethyl-N,N-diphenylacridin-2-amine?
10-[7-[10,10-dimethyl-3-(N-phenylanilino)-9H-anthracen-9-yl]triphenylen-2-yl]-9,9-dimethyl-N,N-diphenylacridin-2-amine has a molecular weight of 976.28 g/mol, XLogP of 20.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[7-[10,10-dimethyl-3-(N-phenylanilino)-9H-anthracen-9-yl]triphenylen-2-yl]-9,9-dimethyl-N,N-diphenylacridin-2-amine is sourced from PubChem (CID 121475671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).