9-[5-(9,9-dimethylacridin-10-yl)-2-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine

C57H44N4 — CID 90061389

IUPAC9-[5-(9,9-dimethylacridin-10-yl)-2-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2N(c2ccc(N(c3ccccc3)c3ccccc3)c(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)c2)c2ccccc21
InChIInChI=1S/C57H44N4/c1-57(2)49-30-16-19-33-53(49)60(54-34-20-17-31-50(54)57)46-36-38-55(59(43-25-11-5-12-26-43)44-27-13-6-14-28-44)56(40-46)61-51-32-18-15-29-47(51)48-39-45(35-37-52(48)61)58(41-21-7-3-8-22-41)42-23-9-4-10-24-42/h3-40H,1-2H3
InChIKeySRIDNGVBSCXMPM-UHFFFAOYSA-N
MW785.01 g/mol
LogP15.83
Rot. Bonds8

About 9-[5-(9,9-dimethylacridin-10-yl)-2-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine

9-[5-(9,9-dimethylacridin-10-yl)-2-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine (PubChem CID 90061389) has the molecular formula C57H44N4 and a molecular weight of 785.01 g/mol. Its IUPAC name is 9-[5-(9,9-dimethylacridin-10-yl)-2-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine.

Molecular Properties

Compound Name9-[5-(9,9-dimethylacridin-10-yl)-2-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine
PubChem CID90061389
Molecular FormulaC57H44N4
Molecular Weight785.01 g/mol
Exact Mass784.36
IUPAC Name9-[5-(9,9-dimethylacridin-10-yl)-2-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine
SMILESCC1(C)c2ccccc2N(c2ccc(N(c3ccccc3)c3ccccc3)c(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)c2)c2ccccc21
InChIInChI=1S/C57H44N4/c1-57(2)49-30-16-19-33-53(49)60(54-34-20-17-31-50(54)57)46-36-38-55(59(43-25-11-5-12-26-43)44-27-13-6-14-28-44)56(40-46)61-51-32-18-15-29-47(51)48-39-45(35-37-52(48)61)58(41-21-7-3-8-22-41)42-23-9-4-10-24-42/h3-40H,1-2H3
InChIKeySRIDNGVBSCXMPM-UHFFFAOYSA-N
XLogP15.83
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.01
LogP ≤ 515.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

13,13-dimethyl-N,N-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 67325570
4-N-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-10-yl)-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 71036435
2-(9,9-dimethyl-10-phenylacridin-3-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 121259166
9-[2-carbazol-9-yl-6-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine
CID 90061420
9-[6-(5,5-dimethylbenzo[b][1,7]naphthyridin-10-yl)-2-pyridinyl]-N,N-diphenylcarbazol-3-amine
CID 154589708
N-(3,5-dimethylphenyl)-13,13-dimethyl-N-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 70892951
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
10-[3,5-di(carbazol-9-yl)phenyl]-9,9-dimethylacridine
CID 58609318
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
4-N,4-N-bis(13,13-dimethyl-10-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 89211308
1,4-bis[3-(9,9-dimethylacridin-10-yl)carbazol-9-yl]phenazine
CID 140917933
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518

Frequently Asked Questions

What is the IUPAC name of 9-[5-(9,9-dimethylacridin-10-yl)-2-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine?
The IUPAC name of 9-[5-(9,9-dimethylacridin-10-yl)-2-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine (CID 90061389) is 9-[5-(9,9-dimethylacridin-10-yl)-2-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine.
What is the SMILES notation for 9-[5-(9,9-dimethylacridin-10-yl)-2-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine?
The canonical SMILES for 9-[5-(9,9-dimethylacridin-10-yl)-2-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine is CC1(C)c2ccccc2N(c2ccc(N(c3ccccc3)c3ccccc3)c(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)c2)c2ccccc21.
What is the InChIKey of 9-[5-(9,9-dimethylacridin-10-yl)-2-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine?
The InChIKey is SRIDNGVBSCXMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H44N4/c1-57(2)49-30-16-19-33-53(49)60(54-34-20-17-31-50(54)57)46-36-38-55(59(43-25-11-5-12-26-43)44-27-13-6-14-28-44)56(40-46)61-51-32-18-15-29-47(51)48-39-45(35-37-52(48)61)58(41-21-7-3-8-22-41)42-23-9-4-10-24-42/h3-40H,1-2H3.
What are the key properties of 9-[5-(9,9-dimethylacridin-10-yl)-2-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine?
9-[5-(9,9-dimethylacridin-10-yl)-2-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine has a molecular weight of 785.01 g/mol, XLogP of 15.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(9,9-dimethylacridin-10-yl)-2-(N-phenylanilino)phenyl]-N,N-diphenylcarbazol-3-amine is sourced from PubChem (CID 90061389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).