N-[4-[3-[4-(N-(9,9-dimethylfluoren-2-yl)-4-imidazo[1,2-a]pyridin-2-ylanilino)phenyl]quinoxalin-2-yl]phenyl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9,9-dimethylfluoren-2-amine

C76H56N8 — CID 88592214

IUPACN-[4-[3-[4-(N-(9,9-dimethylfluoren-2-yl)-4-imidazo[1,2-a]pyridin-2-ylanilino)phenyl]quinoxalin-2-yl]phenyl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cn5ccccc5n4)cc3)c3ccc(-c4nc5ccccc5nc4-c4ccc(N(c5ccc(-c6cn7ccccc7n6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21
InChIInChI=1S/C76H56N8/c1-75(2)63-17-7-5-15-59(63)61-41-39-57(45-65(61)75)83(53-31-23-49(24-32-53)69-47-81-43-13-11-21-71(81)77-69)55-35-27-51(28-36-55)73-74(80-68-20-10-9-19-67(68)79-73)52-29-37-56(38-30-52)84(54-33-25-50(26-34-54)70-48-82-44-14-12-22-72(82)78-70)58-40-42-62-60-16-6-8-18-64(60)76(3,4)66(62)46-58/h5-48H,1-4H3
InChIKeyLWNVUSPVZBAIMN-UHFFFAOYSA-N
MW1081.34 g/mol
LogP19.15
Rot. Bonds10

About N-[4-[3-[4-(N-(9,9-dimethylfluoren-2-yl)-4-imidazo[1,2-a]pyridin-2-ylanilino)phenyl]quinoxalin-2-yl]phenyl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9,9-dimethylfluoren-2-amine

N-[4-[3-[4-(N-(9,9-dimethylfluoren-2-yl)-4-imidazo[1,2-a]pyridin-2-ylanilino)phenyl]quinoxalin-2-yl]phenyl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9,9-dimethylfluoren-2-amine (PubChem CID 88592214) has the molecular formula C76H56N8 and a molecular weight of 1081.34 g/mol. Its IUPAC name is N-[4-[3-[4-(N-(9,9-dimethylfluoren-2-yl)-4-imidazo[1,2-a]pyridin-2-ylanilino)phenyl]quinoxalin-2-yl]phenyl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-[3-[4-(N-(9,9-dimethylfluoren-2-yl)-4-imidazo[1,2-a]pyridin-2-ylanilino)phenyl]quinoxalin-2-yl]phenyl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9,9-dimethylfluoren-2-amine
PubChem CID88592214
Molecular FormulaC76H56N8
Molecular Weight1081.34 g/mol
Exact Mass1080.46
IUPAC NameN-[4-[3-[4-(N-(9,9-dimethylfluoren-2-yl)-4-imidazo[1,2-a]pyridin-2-ylanilino)phenyl]quinoxalin-2-yl]phenyl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cn5ccccc5n4)cc3)c3ccc(-c4nc5ccccc5nc4-c4ccc(N(c5ccc(-c6cn7ccccc7n6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21
InChIInChI=1S/C76H56N8/c1-75(2)63-17-7-5-15-59(63)61-41-39-57(45-65(61)75)83(53-31-23-49(24-32-53)69-47-81-43-13-11-21-71(81)77-69)55-35-27-51(28-36-55)73-74(80-68-20-10-9-19-67(68)79-73)52-29-37-56(38-30-52)84(54-33-25-50(26-34-54)70-48-82-44-14-12-22-72(82)78-70)58-40-42-62-60-16-6-8-18-64(60)76(3,4)66(62)46-58/h5-48H,1-4H3
InChIKeyLWNVUSPVZBAIMN-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-[3-[4-(N-(9,9-dimethylfluoren-2-yl)-4-imidazo[1,2-a]pyridin-2-ylanilino)phenyl]quinoxalin-2-yl]phenyl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9,9-dimethylfluoren-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-(N-(9,9-dimethylfluoren-2-yl)-4-imidazo[1,2-a]pyridin-2-ylanilino)phenyl]quinoxalin-2-yl]phenyl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[4-[3-[4-(N-(9,9-dimethylfluoren-2-yl)-4-imidazo[1,2-a]pyridin-2-ylanilino)phenyl]quinoxalin-2-yl]phenyl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9,9-dimethylfluoren-2-amine (CID 88592214) is N-[4-[3-[4-(N-(9,9-dimethylfluoren-2-yl)-4-imidazo[1,2-a]pyridin-2-ylanilino)phenyl]quinoxalin-2-yl]phenyl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[4-[3-[4-(N-(9,9-dimethylfluoren-2-yl)-4-imidazo[1,2-a]pyridin-2-ylanilino)phenyl]quinoxalin-2-yl]phenyl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[4-[3-[4-(N-(9,9-dimethylfluoren-2-yl)-4-imidazo[1,2-a]pyridin-2-ylanilino)phenyl]quinoxalin-2-yl]phenyl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cn5ccccc5n4)cc3)c3ccc(-c4nc5ccccc5nc4-c4ccc(N(c5ccc(-c6cn7ccccc7n6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3)cc21.
What is the InChIKey of N-[4-[3-[4-(N-(9,9-dimethylfluoren-2-yl)-4-imidazo[1,2-a]pyridin-2-ylanilino)phenyl]quinoxalin-2-yl]phenyl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9,9-dimethylfluoren-2-amine?
The InChIKey is LWNVUSPVZBAIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H56N8/c1-75(2)63-17-7-5-15-59(63)61-41-39-57(45-65(61)75)83(53-31-23-49(24-32-53)69-47-81-43-13-11-21-71(81)77-69)55-35-27-51(28-36-55)73-74(80-68-20-10-9-19-67(68)79-73)52-29-37-56(38-30-52)84(54-33-25-50(26-34-54)70-48-82-44-14-12-22-72(82)78-70)58-40-42-62-60-16-6-8-18-64(60)76(3,4)66(62)46-58/h5-48H,1-4H3.
What are the key properties of N-[4-[3-[4-(N-(9,9-dimethylfluoren-2-yl)-4-imidazo[1,2-a]pyridin-2-ylanilino)phenyl]quinoxalin-2-yl]phenyl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9,9-dimethylfluoren-2-amine?
N-[4-[3-[4-(N-(9,9-dimethylfluoren-2-yl)-4-imidazo[1,2-a]pyridin-2-ylanilino)phenyl]quinoxalin-2-yl]phenyl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9,9-dimethylfluoren-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-[3-[4-(N-(9,9-dimethylfluoren-2-yl)-4-imidazo[1,2-a]pyridin-2-ylanilino)phenyl]quinoxalin-2-yl]phenyl]-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 88592214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).