N-(4-phenylphenyl)-N-[4'-[4-[4-[4-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]phenyl]-9,9'-spirobi[fluorene]-4-yl]dibenzofuran-3-amine

C98H62N2O — CID 139352149

IUPACN-(4-phenylphenyl)-N-[4'-[4-[4-[4-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]phenyl]-9,9'-spirobi[fluorene]-4-yl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6c(N(c7ccc(-c8ccccc8)cc7)c7ccc8c(c7)oc7ccccc78)cccc65)cc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C98H62N2O/c1-3-22-63(23-4-1)66-48-54-70(55-49-66)99(90-41-20-39-88-95(90)80-30-10-16-36-85(80)97(88)82-33-13-7-26-75(82)76-27-8-14-34-83(76)97)71-56-52-68(53-57-71)65-44-46-69(47-45-65)74-32-19-38-87-94(74)79-29-9-15-35-84(79)98(87)86-37-17-11-31-81(86)96-89(98)40-21-42-91(96)100(72-58-50-67(51-59-72)64-24-5-2-6-25-64)73-60-61-78-77-28-12-18-43-92(77)101-93(78)62-73/h1-62H
InChIKeyDYCNYYFMDWVAMA-UHFFFAOYSA-N
MW1283.59 g/mol
LogP25.88
Rot. Bonds10

About N-(4-phenylphenyl)-N-[4'-[4-[4-[4-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]phenyl]-9,9'-spirobi[fluorene]-4-yl]dibenzofuran-3-amine

N-(4-phenylphenyl)-N-[4'-[4-[4-[4-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]phenyl]-9,9'-spirobi[fluorene]-4-yl]dibenzofuran-3-amine (PubChem CID 139352149) has the molecular formula C98H62N2O and a molecular weight of 1283.59 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[4'-[4-[4-[4-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]phenyl]-9,9'-spirobi[fluorene]-4-yl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[4'-[4-[4-[4-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]phenyl]-9,9'-spirobi[fluorene]-4-yl]dibenzofuran-3-amine
PubChem CID139352149
Molecular FormulaC98H62N2O
Molecular Weight1283.59 g/mol
Exact Mass1282.49
IUPAC NameN-(4-phenylphenyl)-N-[4'-[4-[4-[4-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]phenyl]-9,9'-spirobi[fluorene]-4-yl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6c(N(c7ccc(-c8ccccc8)cc7)c7ccc8c(c7)oc7ccccc78)cccc65)cc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C98H62N2O/c1-3-22-63(23-4-1)66-48-54-70(55-49-66)99(90-41-20-39-88-95(90)80-30-10-16-36-85(80)97(88)82-33-13-7-26-75(82)76-27-8-14-34-83(76)97)71-56-52-68(53-57-71)65-44-46-69(47-45-65)74-32-19-38-87-94(74)79-29-9-15-35-84(79)98(87)86-37-17-11-31-81(86)96-89(98)40-21-42-91(96)100(72-58-50-67(51-59-72)64-24-5-2-6-25-64)73-60-61-78-77-28-12-18-43-92(77)101-93(78)62-73/h1-62H
InChIKeyDYCNYYFMDWVAMA-UHFFFAOYSA-N
XLogP25.88
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001283.59
LogP ≤ 525.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-phenylphenyl)-N-[4'-[4-[4-[4-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]phenyl]-9,9'-spirobi[fluorene]-4-yl]dibenzofuran-3-amine with MolForge

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Related Compounds

N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-3-amine
CID 168771578
N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-2-amine
CID 130263998
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170666163
4-phenyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-10-amine
CID 177130904
N-(3-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167176749
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 167293276
N-[3-phenyl-2-(2-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 168788654
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129267119
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 158324524
N-(4-dibenzofuran-1-ylphenyl)-2'-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258889
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-6-phenyldibenzofuran-3-amine
CID 169302165
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 129267011

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[4'-[4-[4-[4-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]phenyl]-9,9'-spirobi[fluorene]-4-yl]dibenzofuran-3-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[4'-[4-[4-[4-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]phenyl]-9,9'-spirobi[fluorene]-4-yl]dibenzofuran-3-amine (CID 139352149) is N-(4-phenylphenyl)-N-[4'-[4-[4-[4-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]phenyl]-9,9'-spirobi[fluorene]-4-yl]dibenzofuran-3-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[4'-[4-[4-[4-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]phenyl]-9,9'-spirobi[fluorene]-4-yl]dibenzofuran-3-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[4'-[4-[4-[4-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]phenyl]-9,9'-spirobi[fluorene]-4-yl]dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6c(N(c7ccc(-c8ccccc8)cc7)c7ccc8c(c7)oc7ccccc78)cccc65)cc4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-[4'-[4-[4-[4-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]phenyl]-9,9'-spirobi[fluorene]-4-yl]dibenzofuran-3-amine?
The InChIKey is DYCNYYFMDWVAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H62N2O/c1-3-22-63(23-4-1)66-48-54-70(55-49-66)99(90-41-20-39-88-95(90)80-30-10-16-36-85(80)97(88)82-33-13-7-26-75(82)76-27-8-14-34-83(76)97)71-56-52-68(53-57-71)65-44-46-69(47-45-65)74-32-19-38-87-94(74)79-29-9-15-35-84(79)98(87)86-37-17-11-31-81(86)96-89(98)40-21-42-91(96)100(72-58-50-67(51-59-72)64-24-5-2-6-25-64)73-60-61-78-77-28-12-18-43-92(77)101-93(78)62-73/h1-62H.
What are the key properties of N-(4-phenylphenyl)-N-[4'-[4-[4-[4-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]phenyl]-9,9'-spirobi[fluorene]-4-yl]dibenzofuran-3-amine?
N-(4-phenylphenyl)-N-[4'-[4-[4-[4-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]phenyl]-9,9'-spirobi[fluorene]-4-yl]dibenzofuran-3-amine has a molecular weight of 1283.59 g/mol, XLogP of 25.88, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[4'-[4-[4-[4-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]phenyl]-9,9'-spirobi[fluorene]-4-yl]dibenzofuran-3-amine is sourced from PubChem (CID 139352149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).