N-(9,9-diphenylfluoren-2-yl)-N,5'-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine

C66H43N — CID 168812075

IUPACN-(9,9-diphenylfluoren-2-yl)-N,5'-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
SMILESc1ccc(-c2cccc3c2-c2ccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc2C32c3ccccc3-c3cccc4cccc2c34)cc1
InChIInChI=1S/C66H43N/c1-5-20-44(21-6-1)51-32-19-37-60-64(51)56-41-39-50(43-62(56)66(60)58-35-16-14-31-53(58)55-33-17-22-45-23-18-36-59(66)63(45)55)67(48-28-11-4-12-29-48)49-38-40-54-52-30-13-15-34-57(52)65(61(54)42-49,46-24-7-2-8-25-46)47-26-9-3-10-27-47/h1-43H
InChIKeyYLXIHQCILGPQJQ-UHFFFAOYSA-N
MW850.08 g/mol
LogP16.68
Rot. Bonds6

About N-(9,9-diphenylfluoren-2-yl)-N,5'-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine

N-(9,9-diphenylfluoren-2-yl)-N,5'-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine (PubChem CID 168812075) has the molecular formula C66H43N and a molecular weight of 850.08 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N,5'-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N,5'-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
PubChem CID168812075
Molecular FormulaC66H43N
Molecular Weight850.08 g/mol
Exact Mass849.34
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N,5'-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
SMILESc1ccc(-c2cccc3c2-c2ccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc2C32c3ccccc3-c3cccc4cccc2c34)cc1
InChIInChI=1S/C66H43N/c1-5-20-44(21-6-1)51-32-19-37-60-64(51)56-41-39-50(43-62(56)66(60)58-35-16-14-31-53(58)55-33-17-22-45-23-18-36-59(66)63(45)55)67(48-28-11-4-12-29-48)49-38-40-54-52-30-13-15-34-57(52)65(61(54)42-49,46-24-7-2-8-25-46)47-26-9-3-10-27-47/h1-43H
InChIKeyYLXIHQCILGPQJQ-UHFFFAOYSA-N
XLogP16.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.08
LogP ≤ 516.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-9-amine
CID 146361908
N-[4-(7,7-diphenylbenzo[a]phenalen-9-yl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 118532996
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146247477
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N,4-diphenylaniline;N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158824840
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168812085
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
CID 169020035
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
N,9,9-triphenyl-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 130325438
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-3-(4-naphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 169020066
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193981
7-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-phenylfluoren-2-amine
CID 140919841

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N,5'-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N,5'-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine (CID 168812075) is N-(9,9-diphenylfluoren-2-yl)-N,5'-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N,5'-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N,5'-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine is c1ccc(-c2cccc3c2-c2ccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc2C32c3ccccc3-c3cccc4cccc2c34)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N,5'-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine?
The InChIKey is YLXIHQCILGPQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43N/c1-5-20-44(21-6-1)51-32-19-37-60-64(51)56-41-39-50(43-62(56)66(60)58-35-16-14-31-53(58)55-33-17-22-45-23-18-36-59(66)63(45)55)67(48-28-11-4-12-29-48)49-38-40-54-52-30-13-15-34-57(52)65(61(54)42-49,46-24-7-2-8-25-46)47-26-9-3-10-27-47/h1-43H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N,5'-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine?
N-(9,9-diphenylfluoren-2-yl)-N,5'-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine has a molecular weight of 850.08 g/mol, XLogP of 16.68, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N,5'-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine is sourced from PubChem (CID 168812075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).