N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7-[3-[7-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)-9,9-dimethylfluoren-2-yl]quinoxalin-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine

C76H56N8 — CID 88592230

IUPACN-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7-[3-[7-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)-9,9-dimethylfluoren-2-yl]quinoxalin-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2cc(-c3nc4ccccc4nc3-c3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5ccc(-c6cn7ccccc7n6)cc5)ccc3-4)ccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cn5ccccc5n4)cc3)cc21
InChIInChI=1S/C76H56N8/c1-75(2)63-43-51(29-37-59(63)61-39-35-57(45-65(61)75)83(53-17-7-5-8-18-53)55-31-25-49(26-32-55)69-47-81-41-15-13-23-71(81)77-69)73-74(80-68-22-12-11-21-67(68)79-73)52-30-38-60-62-40-36-58(46-66(62)76(3,4)64(60)44-52)84(54-19-9-6-10-20-54)56-33-27-50(28-34-56)70-48-82-42-16-14-24-72(82)78-70/h5-48H,1-4H3
InChIKeyZQUKZKOCSBRHNO-UHFFFAOYSA-N
MW1081.34 g/mol
LogP19.15
Rot. Bonds10

About N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7-[3-[7-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)-9,9-dimethylfluoren-2-yl]quinoxalin-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine

N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7-[3-[7-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)-9,9-dimethylfluoren-2-yl]quinoxalin-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 88592230) has the molecular formula C76H56N8 and a molecular weight of 1081.34 g/mol. Its IUPAC name is N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7-[3-[7-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)-9,9-dimethylfluoren-2-yl]quinoxalin-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7-[3-[7-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)-9,9-dimethylfluoren-2-yl]quinoxalin-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
PubChem CID88592230
Molecular FormulaC76H56N8
Molecular Weight1081.34 g/mol
Exact Mass1080.46
IUPAC NameN-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7-[3-[7-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)-9,9-dimethylfluoren-2-yl]quinoxalin-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2cc(-c3nc4ccccc4nc3-c3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5ccc(-c6cn7ccccc7n6)cc5)ccc3-4)ccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cn5ccccc5n4)cc3)cc21
InChIInChI=1S/C76H56N8/c1-75(2)63-43-51(29-37-59(63)61-39-35-57(45-65(61)75)83(53-17-7-5-8-18-53)55-31-25-49(26-32-55)69-47-81-41-15-13-23-71(81)77-69)73-74(80-68-22-12-11-21-67(68)79-73)52-30-38-60-62-40-36-58(46-66(62)76(3,4)64(60)44-52)84(54-19-9-6-10-20-54)56-33-27-50(28-34-56)70-48-82-42-16-14-24-72(82)78-70/h5-48H,1-4H3
InChIKeyZQUKZKOCSBRHNO-UHFFFAOYSA-N
XLogP19.15
TPSA66.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001081.34
LogP ≤ 519.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7-[3-[7-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)-9,9-dimethylfluoren-2-yl]quinoxalin-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7-[3-[7-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)-9,9-dimethylfluoren-2-yl]quinoxalin-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The IUPAC name of N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7-[3-[7-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)-9,9-dimethylfluoren-2-yl]quinoxalin-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine (CID 88592230) is N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7-[3-[7-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)-9,9-dimethylfluoren-2-yl]quinoxalin-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine.
What is the SMILES notation for N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7-[3-[7-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)-9,9-dimethylfluoren-2-yl]quinoxalin-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The canonical SMILES for N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7-[3-[7-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)-9,9-dimethylfluoren-2-yl]quinoxalin-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine is CC1(C)c2cc(-c3nc4ccccc4nc3-c3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5ccc(-c6cn7ccccc7n6)cc5)ccc3-4)ccc2-c2ccc(N(c3ccccc3)c3ccc(-c4cn5ccccc5n4)cc3)cc21.
What is the InChIKey of N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7-[3-[7-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)-9,9-dimethylfluoren-2-yl]quinoxalin-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The InChIKey is ZQUKZKOCSBRHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H56N8/c1-75(2)63-43-51(29-37-59(63)61-39-35-57(45-65(61)75)83(53-17-7-5-8-18-53)55-31-25-49(26-32-55)69-47-81-41-15-13-23-71(81)77-69)73-74(80-68-22-12-11-21-67(68)79-73)52-30-38-60-62-40-36-58(46-66(62)76(3,4)64(60)44-52)84(54-19-9-6-10-20-54)56-33-27-50(28-34-56)70-48-82-42-16-14-24-72(82)78-70/h5-48H,1-4H3.
What are the key properties of N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7-[3-[7-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)-9,9-dimethylfluoren-2-yl]quinoxalin-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine?
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7-[3-[7-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)-9,9-dimethylfluoren-2-yl]quinoxalin-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 1081.34 g/mol, XLogP of 19.15, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-7-[3-[7-(N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)anilino)-9,9-dimethylfluoren-2-yl]quinoxalin-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 88592230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).