N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine

C156H112N4 — CID 158001186

IUPACN-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
SMILESCc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)C6(c8ccccc8-7)c7cc(C)ccc7-c7ccc(C)cc76)cc5)cc4)cc31)c1cc(C)ccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)C6(c8ccccc8-7)c7cc(C)ccc7-c7ccc(C)cc76)cc5)cc4)cc31)c1cc(C)ccc1-2
InChIInChI=1S/2C78H56N2/c2*1-49-23-37-63-64-38-24-50(2)44-72(64)77(71(63)43-49)69-21-13-11-19-61(69)67-41-35-59(47-75(67)77)79(55-15-7-5-8-16-55)57-31-27-53(28-32-57)54-29-33-58(34-30-54)80(56-17-9-6-10-18-56)60-36-42-68-62-20-12-14-22-70(62)78(76(68)48-60)73-45-51(3)25-39-65(73)66-40-26-52(4)46-74(66)78/h2*5-48H,1-4H3
InChIKeyFDTHQBQTCNHZBO-UHFFFAOYSA-N
MW2042.64 g/mol
LogP40.43
Rot. Bonds14

About N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine

N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 158001186) has the molecular formula C156H112N4 and a molecular weight of 2042.64 g/mol. Its IUPAC name is N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
PubChem CID158001186
Molecular FormulaC156H112N4
Molecular Weight2042.64 g/mol
Exact Mass2040.89
IUPAC NameN-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
SMILESCc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)C6(c8ccccc8-7)c7cc(C)ccc7-c7ccc(C)cc76)cc5)cc4)cc31)c1cc(C)ccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)C6(c8ccccc8-7)c7cc(C)ccc7-c7ccc(C)cc76)cc5)cc4)cc31)c1cc(C)ccc1-2
InChIInChI=1S/2C78H56N2/c2*1-49-23-37-63-64-38-24-50(2)44-72(64)77(71(63)43-49)69-21-13-11-19-61(69)67-41-35-59(47-75(67)77)79(55-15-7-5-8-16-55)57-31-27-53(28-32-57)54-29-33-58(34-30-54)80(56-17-9-6-10-18-56)60-36-42-68-62-20-12-14-22-70(62)78(76(68)48-60)73-45-51(3)25-39-65(73)66-40-26-52(4)46-74(66)78/h2*5-48H,1-4H3
InChIKeyFDTHQBQTCNHZBO-UHFFFAOYSA-N
XLogP40.43
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms160
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002042.64
LogP ≤ 540.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine with MolForge

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Related Compounds

2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 21042261
2-methyl-N-[4-[4-(3-methyl-N-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)anilino)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 89334238
N-(9,9-dimethylfluoren-2-yl)-2-methyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298490
2-N'-[4-(3-methylphenyl)phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 170019632
2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 129292300
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 155079035
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391582
2-methyl-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 177067341
N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 121423944
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 138662093

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine (CID 158001186) is N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine is Cc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)C6(c8ccccc8-7)c7cc(C)ccc7-c7ccc(C)cc76)cc5)cc4)cc31)c1cc(C)ccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)C6(c8ccccc8-7)c7cc(C)ccc7-c7ccc(C)cc76)cc5)cc4)cc31)c1cc(C)ccc1-2.
What is the InChIKey of N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is FDTHQBQTCNHZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C78H56N2/c2*1-49-23-37-63-64-38-24-50(2)44-72(64)77(71(63)43-49)69-21-13-11-19-61(69)67-41-35-59(47-75(67)77)79(55-15-7-5-8-16-55)57-31-27-53(28-32-57)54-29-33-58(34-30-54)80(56-17-9-6-10-18-56)60-36-42-68-62-20-12-14-22-70(62)78(76(68)48-60)73-45-51(3)25-39-65(73)66-40-26-52(4)46-74(66)78/h2*5-48H,1-4H3.
What are the key properties of N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine?
N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 2042.64 g/mol, XLogP of 40.43, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 158001186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).