N-(4-methoxy-3-phenylphenyl)-N-[1-[3-[4-methoxy-3-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-9,9'-spirobi[fluorene]-2-amine

C94H70N2O2 — CID 146434390

IUPACN-(4-methoxy-3-phenylphenyl)-N-[1-[3-[4-methoxy-3-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-9,9'-spirobi[fluorene]-2-amine
SMILESCOc1ccc(N(c2cccc(C3(C)CC(C)(C)c4cc(N(c5ccc(OC)c(-c6ccccc6)c5)c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc43)c2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1-c1ccccc1
InChIInChI=1S/C94H70N2O2/c1-91(2)59-92(3,62-29-24-30-63(53-62)95(64-46-51-89(97-4)77(54-64)60-25-8-6-9-26-60)66-43-48-75-73-35-16-22-41-83(73)93(86(75)56-66)79-37-18-12-31-69(79)70-32-13-19-38-80(70)93)85-50-45-68(58-88(85)91)96(65-47-52-90(98-5)78(55-65)61-27-10-7-11-28-61)67-44-49-76-74-36-17-23-42-84(74)94(87(76)57-67)81-39-20-14-33-71(81)72-34-15-21-40-82(72)94/h6-58H,59H2,1-5H3
InChIKeyBKVBPNVDEPTNGD-UHFFFAOYSA-N
MW1259.61 g/mol
LogP23.65
Rot. Bonds11

About N-(4-methoxy-3-phenylphenyl)-N-[1-[3-[4-methoxy-3-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-9,9'-spirobi[fluorene]-2-amine

N-(4-methoxy-3-phenylphenyl)-N-[1-[3-[4-methoxy-3-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 146434390) has the molecular formula C94H70N2O2 and a molecular weight of 1259.61 g/mol. Its IUPAC name is N-(4-methoxy-3-phenylphenyl)-N-[1-[3-[4-methoxy-3-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(4-methoxy-3-phenylphenyl)-N-[1-[3-[4-methoxy-3-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID146434390
Molecular FormulaC94H70N2O2
Molecular Weight1259.61 g/mol
Exact Mass1258.54
IUPAC NameN-(4-methoxy-3-phenylphenyl)-N-[1-[3-[4-methoxy-3-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-9,9'-spirobi[fluorene]-2-amine
SMILESCOc1ccc(N(c2cccc(C3(C)CC(C)(C)c4cc(N(c5ccc(OC)c(-c6ccccc6)c5)c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc43)c2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1-c1ccccc1
InChIInChI=1S/C94H70N2O2/c1-91(2)59-92(3,62-29-24-30-63(53-62)95(64-46-51-89(97-4)77(54-64)60-25-8-6-9-26-60)66-43-48-75-73-35-16-22-41-83(73)93(86(75)56-66)79-37-18-12-31-69(79)70-32-13-19-38-80(70)93)85-50-45-68(58-88(85)91)96(65-47-52-90(98-5)78(55-65)61-27-10-7-11-28-61)67-44-49-76-74-36-17-23-42-84(74)94(87(76)57-67)81-39-20-14-33-71(81)72-34-15-21-40-82(72)94/h6-58H,59H2,1-5H3
InChIKeyBKVBPNVDEPTNGD-UHFFFAOYSA-N
XLogP23.65
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001259.61
LogP ≤ 523.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-methoxy-3-phenylphenyl)-N-[1-[3-[4-methoxy-3-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-9,9'-spirobi[fluorene]-2-amine with MolForge

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Related Compounds

N-[1-[3-[bis(9,9-diphenylfluoren-2-yl)amino]phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;1,3,3-trimethyl-N-(4-methylphenyl)-1-[3-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]-N-(4-phenylphenyl)-2H-inden-5-amine
CID 158817105
9,9-bis(4-methoxy-3-phenylphenyl)-N,N-diphenylfluoren-2-amine
CID 139762357
N-[1-[3-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 146434387
N-[3-[7-[bis(9,9-diphenylfluoren-2-yl)amino]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[3-[7-[(9,9-diphenylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 158218287
N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 155114306
N,9,9-triphenyl-N-[4-[4-(N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)anilino)phenyl]phenyl]fluoren-2-amine
CID 171735958
N-(9,9-diphenylfluoren-2-yl)-10,10-dimethyl-N-(3-phenylphenyl)spiro[anthracene-9,9'-fluorene]-2-amine
CID 167176307
1,3,3-trimethyl-N,N-bis(4-phenylphenyl)-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-2H-inden-5-amine
CID 142469435
9,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 121464349
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 121423591
N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 134508270
9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 139384269

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-phenylphenyl)-N-[1-[3-[4-methoxy-3-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(4-methoxy-3-phenylphenyl)-N-[1-[3-[4-methoxy-3-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-9,9'-spirobi[fluorene]-2-amine (CID 146434390) is N-(4-methoxy-3-phenylphenyl)-N-[1-[3-[4-methoxy-3-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(4-methoxy-3-phenylphenyl)-N-[1-[3-[4-methoxy-3-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(4-methoxy-3-phenylphenyl)-N-[1-[3-[4-methoxy-3-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-9,9'-spirobi[fluorene]-2-amine is COc1ccc(N(c2cccc(C3(C)CC(C)(C)c4cc(N(c5ccc(OC)c(-c6ccccc6)c5)c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc43)c2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1-c1ccccc1.
What is the InChIKey of N-(4-methoxy-3-phenylphenyl)-N-[1-[3-[4-methoxy-3-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is BKVBPNVDEPTNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H70N2O2/c1-91(2)59-92(3,62-29-24-30-63(53-62)95(64-46-51-89(97-4)77(54-64)60-25-8-6-9-26-60)66-43-48-75-73-35-16-22-41-83(73)93(86(75)56-66)79-37-18-12-31-69(79)70-32-13-19-38-80(70)93)85-50-45-68(58-88(85)91)96(65-47-52-90(98-5)78(55-65)61-27-10-7-11-28-61)67-44-49-76-74-36-17-23-42-84(74)94(87(76)57-67)81-39-20-14-33-71(81)72-34-15-21-40-82(72)94/h6-58H,59H2,1-5H3.
What are the key properties of N-(4-methoxy-3-phenylphenyl)-N-[1-[3-[4-methoxy-3-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-9,9'-spirobi[fluorene]-2-amine?
N-(4-methoxy-3-phenylphenyl)-N-[1-[3-[4-methoxy-3-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 1259.61 g/mol, XLogP of 23.65, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-phenylphenyl)-N-[1-[3-[4-methoxy-3-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)anilino]phenyl]-1,3,3-trimethyl-2H-inden-5-yl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 146434390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).