N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine

C60H39N — CID 134193981

IUPACN-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
SMILESc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc4ccccc4cc2-3)cc1
InChIInChI=1S/C60H39N/c1-4-20-42(21-5-1)59(43-22-6-2-7-23-43)53-29-15-12-28-49(53)50-34-32-45(38-57(50)59)61(44-24-8-3-9-25-44)46-33-35-51-52-36-40-18-10-11-19-41(40)37-56(52)60(58(51)39-46)54-30-16-13-26-47(54)48-27-14-17-31-55(48)60/h1-39H
InChIKeyIERIXMXPUPCLGJ-UHFFFAOYSA-N
MW773.98 g/mol
LogP15.02
Rot. Bonds5

About N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine

N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine (PubChem CID 134193981) has the molecular formula C60H39N and a molecular weight of 773.98 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
PubChem CID134193981
Molecular FormulaC60H39N
Molecular Weight773.98 g/mol
Exact Mass773.31
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
SMILESc1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc4ccccc4cc2-3)cc1
InChIInChI=1S/C60H39N/c1-4-20-42(21-5-1)59(43-22-6-2-7-23-43)53-29-15-12-28-49(53)50-34-32-45(38-57(50)59)61(44-24-8-3-9-25-44)46-33-35-51-52-36-40-18-10-11-19-41(40)37-56(52)60(58(51)39-46)54-30-16-13-26-47(54)48-27-14-17-31-55(48)60/h1-39H
InChIKeyIERIXMXPUPCLGJ-UHFFFAOYSA-N
XLogP15.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.98
LogP ≤ 515.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193979
N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine
CID 134215993
6-N,16-N-bis(9,9-diphenylfluoren-2-yl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166033580
11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,11-triphenylbenzo[b]fluoren-2-amine
CID 118145932
N-(9,9-diphenylfluoren-3-yl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 121423646
1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 132601190
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine
CID 138601435
N-[4-[4-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine
CID 122448831
N-phenyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 139352546
N,9,9-triphenyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine
CID 155133254
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 146540100

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine (CID 134193981) is N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine is c1ccc(N(c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc4ccccc4cc2-3)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine?
The InChIKey is IERIXMXPUPCLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N/c1-4-20-42(21-5-1)59(43-22-6-2-7-23-43)53-29-15-12-28-49(53)50-34-32-45(38-57(50)59)61(44-24-8-3-9-25-44)46-33-35-51-52-36-40-18-10-11-19-41(40)37-56(52)60(58(51)39-46)54-30-16-13-26-47(54)48-27-14-17-31-55(48)60/h1-39H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine?
N-(9,9-diphenylfluoren-2-yl)-N-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine has a molecular weight of 773.98 g/mol, XLogP of 15.02, 5 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-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine is sourced from PubChem (CID 134193981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).