2-carbazol-9-yl-6-(9,9-dimethylacridin-10-yl)-N-(4-pyrazin-2-ylphenyl)-N-(4-pyrimidin-4-ylphenyl)pyridin-4-amine

C52H38N8 — CID 154990066

IUPAC2-carbazol-9-yl-6-(9,9-dimethylacridin-10-yl)-N-(4-pyrazin-2-ylphenyl)-N-(4-pyrimidin-4-ylphenyl)pyridin-4-amine
SMILESCC1(C)c2ccccc2N(c2cc(N(c3ccc(-c4ccncn4)cc3)c3ccc(-c4cnccn4)cc3)cc(-n3c4ccccc4c4ccccc43)n2)c2ccccc21
InChIInChI=1S/C52H38N8/c1-52(2)42-13-5-9-17-48(42)60(49-18-10-6-14-43(49)52)51-32-39(31-50(57-51)59-46-15-7-3-11-40(46)41-12-4-8-16-47(41)59)58(37-23-19-35(20-24-37)44-27-28-54-34-56-44)38-25-21-36(22-26-38)45-33-53-29-30-55-45/h3-34H,1-2H3
InChIKeyNRGHWSBPFYVZPX-UHFFFAOYSA-N
MW774.93 g/mol
LogP12.67
Rot. Bonds7

About 2-carbazol-9-yl-6-(9,9-dimethylacridin-10-yl)-N-(4-pyrazin-2-ylphenyl)-N-(4-pyrimidin-4-ylphenyl)pyridin-4-amine

2-carbazol-9-yl-6-(9,9-dimethylacridin-10-yl)-N-(4-pyrazin-2-ylphenyl)-N-(4-pyrimidin-4-ylphenyl)pyridin-4-amine (PubChem CID 154990066) has the molecular formula C52H38N8 and a molecular weight of 774.93 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-(9,9-dimethylacridin-10-yl)-N-(4-pyrazin-2-ylphenyl)-N-(4-pyrimidin-4-ylphenyl)pyridin-4-amine.

Molecular Properties

Compound Name2-carbazol-9-yl-6-(9,9-dimethylacridin-10-yl)-N-(4-pyrazin-2-ylphenyl)-N-(4-pyrimidin-4-ylphenyl)pyridin-4-amine
PubChem CID154990066
Molecular FormulaC52H38N8
Molecular Weight774.93 g/mol
Exact Mass774.32
IUPAC Name2-carbazol-9-yl-6-(9,9-dimethylacridin-10-yl)-N-(4-pyrazin-2-ylphenyl)-N-(4-pyrimidin-4-ylphenyl)pyridin-4-amine
SMILESCC1(C)c2ccccc2N(c2cc(N(c3ccc(-c4ccncn4)cc3)c3ccc(-c4cnccn4)cc3)cc(-n3c4ccccc4c4ccccc43)n2)c2ccccc21
InChIInChI=1S/C52H38N8/c1-52(2)42-13-5-9-17-48(42)60(49-18-10-6-14-43(49)52)51-32-39(31-50(57-51)59-46-15-7-3-11-40(46)41-12-4-8-16-47(41)59)58(37-23-19-35(20-24-37)44-27-28-54-34-56-44)38-25-21-36(22-26-38)45-33-53-29-30-55-45/h3-34H,1-2H3
InChIKeyNRGHWSBPFYVZPX-UHFFFAOYSA-N
XLogP12.67
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.93
LogP ≤ 512.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-carbazol-9-yl-6-(9,9-dimethylacridin-10-yl)-N-(4-pyrazin-2-ylphenyl)-N-(4-pyrimidin-4-ylphenyl)pyridin-4-amine;2-carbazol-9-yl-6-phenothiazin-10-yl-N-(4-pyridin-2-ylphenyl)-N-(4-pyridin-4-ylphenyl)pyridin-4-amine;2-carbazol-9-yl-6-phenoxazin-10-yl-N-(4-pyridin-4-ylphenyl)-N-(4-pyrimidin-5-ylphenyl)pyridin-4-amine
CID 167567333
2-(9,9-dimethylacridin-10-yl)-6-phenothiazin-10-yl-N-(4-pyrazin-2-ylphenyl)-N-(4-pyridin-4-ylphenyl)pyridin-4-amine
CID 154990061
9-[6-(5,5-dimethylbenzo[b][1,7]naphthyridin-10-yl)-2-pyridinyl]-N,N-diphenylcarbazol-3-amine
CID 154589708
10-[4-carbazol-9-yl-6-(2-carbazol-9-yl-9,9-dimethylacridin-10-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine;10-[4-carbazol-9-yl-6-(9,9-dimethylacridin-10-yl)-2-pyridinyl]-5,5-diphenylbenzo[b][1,7]naphthyridine;10-[4-carbazol-9-yl-6-(5,5-diphenylbenzo[b][1,7]naphthyridin-10-yl)-2-pyridinyl]-9,9-dimethyl-N,N-diphenylacridin-2-amine;10-[6-(5,5-diphenylbenzo[b][1,7]naphthyridin-10-yl)-2-pyridinyl]-9,9-dimethyl-N,N-diphenylacridin-2-amine
CID 159656769
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
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
10-[3-carbazol-9-yl-5-(5,5-diphenylbenzo[b][1,7]naphthyridin-10-yl)phenyl]-9,9-dimethyl-N,N-diphenylacridin-2-amine
CID 154589764
13,13-dimethyl-N-pyridin-3-yl-N-pyridin-4-yl-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 70893337
2,6-di(phenoxazin-10-yl)-N,N-bis(4-pyridin-4-ylphenyl)pyridin-4-amine
CID 154990017
N-[4-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(9-pyrimidin-2-ylcarbazol-3-yl)phenyl]phenyl]aniline
CID 158952641
4-[9-(2,6-naphthyridin-3-yl)carbazol-3-yl]-N,N-diphenylaniline
CID 118506865

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6-(9,9-dimethylacridin-10-yl)-N-(4-pyrazin-2-ylphenyl)-N-(4-pyrimidin-4-ylphenyl)pyridin-4-amine?
The IUPAC name of 2-carbazol-9-yl-6-(9,9-dimethylacridin-10-yl)-N-(4-pyrazin-2-ylphenyl)-N-(4-pyrimidin-4-ylphenyl)pyridin-4-amine (CID 154990066) is 2-carbazol-9-yl-6-(9,9-dimethylacridin-10-yl)-N-(4-pyrazin-2-ylphenyl)-N-(4-pyrimidin-4-ylphenyl)pyridin-4-amine.
What is the SMILES notation for 2-carbazol-9-yl-6-(9,9-dimethylacridin-10-yl)-N-(4-pyrazin-2-ylphenyl)-N-(4-pyrimidin-4-ylphenyl)pyridin-4-amine?
The canonical SMILES for 2-carbazol-9-yl-6-(9,9-dimethylacridin-10-yl)-N-(4-pyrazin-2-ylphenyl)-N-(4-pyrimidin-4-ylphenyl)pyridin-4-amine is CC1(C)c2ccccc2N(c2cc(N(c3ccc(-c4ccncn4)cc3)c3ccc(-c4cnccn4)cc3)cc(-n3c4ccccc4c4ccccc43)n2)c2ccccc21.
What is the InChIKey of 2-carbazol-9-yl-6-(9,9-dimethylacridin-10-yl)-N-(4-pyrazin-2-ylphenyl)-N-(4-pyrimidin-4-ylphenyl)pyridin-4-amine?
The InChIKey is NRGHWSBPFYVZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N8/c1-52(2)42-13-5-9-17-48(42)60(49-18-10-6-14-43(49)52)51-32-39(31-50(57-51)59-46-15-7-3-11-40(46)41-12-4-8-16-47(41)59)58(37-23-19-35(20-24-37)44-27-28-54-34-56-44)38-25-21-36(22-26-38)45-33-53-29-30-55-45/h3-34H,1-2H3.
What are the key properties of 2-carbazol-9-yl-6-(9,9-dimethylacridin-10-yl)-N-(4-pyrazin-2-ylphenyl)-N-(4-pyrimidin-4-ylphenyl)pyridin-4-amine?
2-carbazol-9-yl-6-(9,9-dimethylacridin-10-yl)-N-(4-pyrazin-2-ylphenyl)-N-(4-pyrimidin-4-ylphenyl)pyridin-4-amine has a molecular weight of 774.93 g/mol, XLogP of 12.67, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-6-(9,9-dimethylacridin-10-yl)-N-(4-pyrazin-2-ylphenyl)-N-(4-pyrimidin-4-ylphenyl)pyridin-4-amine is sourced from PubChem (CID 154990066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).