N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine

C75H49NO — CID 168847747

IUPACN-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(N(c5ccc(-c6cccc(-c7ccc8ccccc8c7)c6)cc5)c5ccc(-c6cccc7ccccc67)c6oc7ccccc7c56)cc4)cc32)cc1
InChIInChI=1S/C75H49NO/c1-3-23-59(24-4-1)75(60-25-5-2-6-26-60)69-31-13-11-28-65(69)66-44-39-58(49-70(66)75)52-37-42-62(43-38-52)76(61-40-35-51(36-41-61)55-21-15-22-56(47-55)57-34-33-50-17-7-8-19-54(50)48-57)71-46-45-67(64-30-16-20-53-18-9-10-27-63(53)64)74-73(71)68-29-12-14-32-72(68)77-74/h1-49H
InChIKeyMLYNUGRSFYQAJR-UHFFFAOYSA-N
MW980.22 g/mol
LogP20.39
Rot. Bonds9

About N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine

N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 168847747) has the molecular formula C75H49NO and a molecular weight of 980.22 g/mol. Its IUPAC name is N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
PubChem CID168847747
Molecular FormulaC75H49NO
Molecular Weight980.22 g/mol
Exact Mass979.38
IUPAC NameN-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(N(c5ccc(-c6cccc(-c7ccc8ccccc8c7)c6)cc5)c5ccc(-c6cccc7ccccc67)c6oc7ccccc7c56)cc4)cc32)cc1
InChIInChI=1S/C75H49NO/c1-3-23-59(24-4-1)75(60-25-5-2-6-26-60)69-31-13-11-28-65(69)66-44-39-58(49-70(66)75)52-37-42-62(43-38-52)76(61-40-35-51(36-41-61)55-21-15-22-56(47-55)57-34-33-50-17-7-8-19-54(50)48-57)71-46-45-67(64-30-16-20-53-18-9-10-27-63(53)64)74-73(71)68-29-12-14-32-72(68)77-74/h1-49H
InChIKeyMLYNUGRSFYQAJR-UHFFFAOYSA-N
XLogP20.39
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500980.22
LogP ≤ 520.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-4-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 168847854
4-naphthalen-1-yl-N-(3-naphthalen-2-ylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069895
N-(2-dibenzofuran-4-ylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]naphthalen-1-amine
CID 167325973
N-(4-naphthalen-2-ylphenyl)-N-[4-[2-(2-naphthalen-1-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168847874
N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 166565735
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069839
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-(2-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenyldibenzofuran-1-amine
CID 168847972
N-(9,9-diphenylfluoren-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 166565747
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566152
N-[4-[2-(3,5-diphenylphenyl)phenyl]phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyldibenzofuran-1-amine
CID 168847734
N-(2-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 167324852
CID 174089341
CID 174089341

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine (CID 168847747) is N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4ccc(N(c5ccc(-c6cccc(-c7ccc8ccccc8c7)c6)cc5)c5ccc(-c6cccc7ccccc67)c6oc7ccccc7c56)cc4)cc32)cc1.
What is the InChIKey of N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is MLYNUGRSFYQAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H49NO/c1-3-23-59(24-4-1)75(60-25-5-2-6-26-60)69-31-13-11-28-65(69)66-44-39-58(49-70(66)75)52-37-42-62(43-38-52)76(61-40-35-51(36-41-61)55-21-15-22-56(47-55)57-34-33-50-17-7-8-19-54(50)48-57)71-46-45-67(64-30-16-20-53-18-9-10-27-63(53)64)74-73(71)68-29-12-14-32-72(68)77-74/h1-49H.
What are the key properties of N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine?
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine has a molecular weight of 980.22 g/mol, XLogP of 20.39, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-naphthalen-1-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 168847747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).