N-[4-(1-benzofuran-5-yl)phenyl]-9-cyclohexa-1,3-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-9-phenylfluoren-1-amine

C64H45NO — CID 177099038

IUPACN-[4-(1-benzofuran-5-yl)phenyl]-9-cyclohexa-1,3-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-9-phenylfluoren-1-amine
SMILESC1=CCCC(C2(c3ccccc3)c3ccccc3-c3cccc(N(c4ccc(-c5ccc6occc6c5)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c32)=C1
InChIInChI=1S/C64H45NO/c1-5-18-47(19-6-1)63(48-20-7-2-8-21-48)57-29-15-13-26-53(57)55-38-37-52(43-59(55)63)65(51-35-32-44(33-36-51)45-34-39-61-46(42-45)40-41-66-61)60-31-17-28-56-54-27-14-16-30-58(54)64(62(56)60,49-22-9-3-10-23-49)50-24-11-4-12-25-50/h1-11,13-24,26-43H,12,25H2
InChIKeyXMMIDBYFYVQVLS-UHFFFAOYSA-N
MW844.07 g/mol
LogP16.52
Rot. Bonds8

About N-[4-(1-benzofuran-5-yl)phenyl]-9-cyclohexa-1,3-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-9-phenylfluoren-1-amine

N-[4-(1-benzofuran-5-yl)phenyl]-9-cyclohexa-1,3-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-9-phenylfluoren-1-amine (PubChem CID 177099038) has the molecular formula C64H45NO and a molecular weight of 844.07 g/mol. Its IUPAC name is N-[4-(1-benzofuran-5-yl)phenyl]-9-cyclohexa-1,3-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-9-phenylfluoren-1-amine.

Molecular Properties

Compound NameN-[4-(1-benzofuran-5-yl)phenyl]-9-cyclohexa-1,3-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-9-phenylfluoren-1-amine
PubChem CID177099038
Molecular FormulaC64H45NO
Molecular Weight844.07 g/mol
Exact Mass843.35
IUPAC NameN-[4-(1-benzofuran-5-yl)phenyl]-9-cyclohexa-1,3-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-9-phenylfluoren-1-amine
SMILESC1=CCCC(C2(c3ccccc3)c3ccccc3-c3cccc(N(c4ccc(-c5ccc6occc6c5)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c32)=C1
InChIInChI=1S/C64H45NO/c1-5-18-47(19-6-1)63(48-20-7-2-8-21-48)57-29-15-13-26-53(57)55-38-37-52(43-59(55)63)65(51-35-32-44(33-36-51)45-34-39-61-46(42-45)40-41-66-61)60-31-17-28-56-54-27-14-16-30-58(54)64(62(56)60,49-22-9-3-10-23-49)50-24-11-4-12-25-50/h1-11,13-24,26-43H,12,25H2
InChIKeyXMMIDBYFYVQVLS-UHFFFAOYSA-N
XLogP16.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.07
LogP ≤ 516.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(1-benzofuran-5-yl)phenyl]-9-cyclohexa-1,3-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-9-phenylfluoren-1-amine with MolForge

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-9,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 122675393
N-(9,9-diphenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759723
N-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
CID 144583099
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298285
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 121285751
N-(4-phenylphenyl)-N-(2'-phenyl-9,9'-spirobi[fluorene]-1-yl)dibenzofuran-2-amine
CID 129259116
N-cyclohexa-1,3-dien-1-yl-4-naphtho[2,1-b][1]benzofuran-3-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 126701115
N-(9,9-diphenylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298454
N-(9,9-diphenylfluoren-2-yl)-N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-1-benzofuran-6-amine
CID 177098995
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine
CID 135271681
N-(2-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167324852
9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-1-amine
CID 90277808

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-5-yl)phenyl]-9-cyclohexa-1,3-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-9-phenylfluoren-1-amine?
The IUPAC name of N-[4-(1-benzofuran-5-yl)phenyl]-9-cyclohexa-1,3-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-9-phenylfluoren-1-amine (CID 177099038) is N-[4-(1-benzofuran-5-yl)phenyl]-9-cyclohexa-1,3-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-9-phenylfluoren-1-amine.
What is the SMILES notation for N-[4-(1-benzofuran-5-yl)phenyl]-9-cyclohexa-1,3-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-9-phenylfluoren-1-amine?
The canonical SMILES for N-[4-(1-benzofuran-5-yl)phenyl]-9-cyclohexa-1,3-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-9-phenylfluoren-1-amine is C1=CCCC(C2(c3ccccc3)c3ccccc3-c3cccc(N(c4ccc(-c5ccc6occc6c5)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c32)=C1.
What is the InChIKey of N-[4-(1-benzofuran-5-yl)phenyl]-9-cyclohexa-1,3-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-9-phenylfluoren-1-amine?
The InChIKey is XMMIDBYFYVQVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45NO/c1-5-18-47(19-6-1)63(48-20-7-2-8-21-48)57-29-15-13-26-53(57)55-38-37-52(43-59(55)63)65(51-35-32-44(33-36-51)45-34-39-61-46(42-45)40-41-66-61)60-31-17-28-56-54-27-14-16-30-58(54)64(62(56)60,49-22-9-3-10-23-49)50-24-11-4-12-25-50/h1-11,13-24,26-43H,12,25H2.
What are the key properties of N-[4-(1-benzofuran-5-yl)phenyl]-9-cyclohexa-1,3-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-9-phenylfluoren-1-amine?
N-[4-(1-benzofuran-5-yl)phenyl]-9-cyclohexa-1,3-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-9-phenylfluoren-1-amine has a molecular weight of 844.07 g/mol, XLogP of 16.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzofuran-5-yl)phenyl]-9-cyclohexa-1,3-dien-1-yl-N-(9,9-diphenylfluoren-2-yl)-9-phenylfluoren-1-amine is sourced from PubChem (CID 177099038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).