N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine

C62H43NO — CID 177121861

IUPACN-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5c4oc4c6ccccc6ccc54)cc3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cccc21
InChIInChI=1S/C62H43NO/c1-61(2)51-28-13-11-24-49(51)57-53(61)30-16-32-55(57)63(44-37-34-41(35-38-44)46-26-15-27-47-48-39-36-40-18-9-10-23-45(40)60(48)64-59(46)47)56-33-17-31-54-58(56)50-25-12-14-29-52(50)62(54,42-19-5-3-6-20-42)43-21-7-4-8-22-43/h3-39H,1-2H3
InChIKeyHYBVJMJDIMFLAT-UHFFFAOYSA-N
MW818.03 g/mol
LogP16.55
Rot. Bonds6

About N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine

N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine (PubChem CID 177121861) has the molecular formula C62H43NO and a molecular weight of 818.03 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
PubChem CID177121861
Molecular FormulaC62H43NO
Molecular Weight818.03 g/mol
Exact Mass817.33
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5c4oc4c6ccccc6ccc54)cc3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cccc21
InChIInChI=1S/C62H43NO/c1-61(2)51-28-13-11-24-49(51)57-53(61)30-16-32-55(57)63(44-37-34-41(35-38-44)46-26-15-27-47-48-39-36-40-18-9-10-23-45(40)60(48)64-59(46)47)56-33-17-31-54-58(56)50-25-12-14-29-52(50)62(54,42-19-5-3-6-20-42)43-21-7-4-8-22-43/h3-39H,1-2H3
InChIKeyHYBVJMJDIMFLAT-UHFFFAOYSA-N
XLogP16.55
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.03
LogP ≤ 516.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 177121766
9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177122090
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 177121793
N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 177122214
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177121797
N-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-4-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 164769011
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177122140
4-(9,9-dimethylfluoren-4-yl)-N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline
CID 177121652
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177122137
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine;9,9-dimethyl-N-[4-(7-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine;9,9-diphenyl-N-[4-(7-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine;N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(7-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 158455101
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine;9,9-dimethyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine;9,9-diphenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 159690368
N-(4-dibenzothiophen-3-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177121720

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine (CID 177121861) is N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5c4oc4c6ccccc6ccc54)cc3)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cccc21.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine?
The InChIKey is HYBVJMJDIMFLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43NO/c1-61(2)51-28-13-11-24-49(51)57-53(61)30-16-32-55(57)63(44-37-34-41(35-38-44)46-26-15-27-47-48-39-36-40-18-9-10-23-45(40)60(48)64-59(46)47)56-33-17-31-54-58(56)50-25-12-14-29-52(50)62(54,42-19-5-3-6-20-42)43-21-7-4-8-22-43/h3-39H,1-2H3.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine?
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine has a molecular weight of 818.03 g/mol, XLogP of 16.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine is sourced from PubChem (CID 177121861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).