N,9,9-triphenyl-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine

C68H45N — CID 130325438

IUPACN,9,9-triphenyl-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
SMILESc1ccc(-c2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)cc1
InChIInChI=1S/C68H45N/c1-5-22-46(23-6-1)47-40-42-56(57-34-21-39-63-66(57)58-33-16-20-38-62(58)68(63)60-36-18-14-30-52(60)53-31-15-19-37-61(53)68)65(44-47)69(50-28-11-4-12-29-50)51-41-43-55-54-32-13-17-35-59(54)67(64(55)45-51,48-24-7-2-8-25-48)49-26-9-3-10-27-49/h1-45H
InChIKeyFRFCWLGIIQDANQ-UHFFFAOYSA-N
MW876.12 g/mol
LogP17.20
Rot. Bonds7

About N,9,9-triphenyl-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine

N,9,9-triphenyl-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine (PubChem CID 130325438) has the molecular formula C68H45N and a molecular weight of 876.12 g/mol. Its IUPAC name is N,9,9-triphenyl-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN,9,9-triphenyl-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
PubChem CID130325438
Molecular FormulaC68H45N
Molecular Weight876.12 g/mol
Exact Mass875.36
IUPAC NameN,9,9-triphenyl-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
SMILESc1ccc(-c2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)cc1
InChIInChI=1S/C68H45N/c1-5-22-46(23-6-1)47-40-42-56(57-34-21-39-63-66(57)58-33-16-20-38-62(58)68(63)60-36-18-14-30-52(60)53-31-15-19-37-61(53)68)65(44-47)69(50-28-11-4-12-29-50)51-41-43-55-54-32-13-17-35-59(54)67(64(55)45-51,48-24-7-2-8-25-48)49-26-9-3-10-27-49/h1-45H
InChIKeyFRFCWLGIIQDANQ-UHFFFAOYSA-N
XLogP17.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.12
LogP ≤ 517.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-(9,9'-spirobi[fluorene]-4'-yl)aniline
CID 130325440
N-(9,9-diphenylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine
CID 163289480
2-N'-phenyl-4-N-(3-phenylphenyl)-2-N',4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915431
2-N'-phenyl-2-N'-(3-phenylphenyl)-4-N,4-N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915444
N,5-diphenyl-2-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 169292940
2-N,2-N,5-N,5-N,9,9-hexakis-phenylfluorene-2,5-diamine;2-N,5-N,5-N,9,9-pentakis-phenyl-2-N-(4-phenylphenyl)fluorene-2,5-diamine;2-N,5-N,9,9-tetraphenyl-2-N,5-N-bis(4-phenylphenyl)fluorene-2,5-diamine
CID 159945654
N-(9,9-diphenylfluoren-2-yl)-N-(3,5-diphenylphenyl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine
CID 129258869
N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-[3-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159700387
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-(2,4-diphenylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;9,9-diphenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 159111401
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,5'-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168812075

Frequently Asked Questions

What is the IUPAC name of N,9,9-triphenyl-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine?
The IUPAC name of N,9,9-triphenyl-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine (CID 130325438) is N,9,9-triphenyl-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for N,9,9-triphenyl-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine?
The canonical SMILES for N,9,9-triphenyl-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine is c1ccc(-c2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c(N(c3ccccc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)cc1.
What is the InChIKey of N,9,9-triphenyl-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine?
The InChIKey is FRFCWLGIIQDANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45N/c1-5-22-46(23-6-1)47-40-42-56(57-34-21-39-63-66(57)58-33-16-20-38-62(58)68(63)60-36-18-14-30-52(60)53-31-15-19-37-61(53)68)65(44-47)69(50-28-11-4-12-29-50)51-41-43-55-54-32-13-17-35-59(54)67(64(55)45-51,48-24-7-2-8-25-48)49-26-9-3-10-27-49/h1-45H.
What are the key properties of N,9,9-triphenyl-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine?
N,9,9-triphenyl-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine has a molecular weight of 876.12 g/mol, XLogP of 17.20, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,9,9-triphenyl-N-[5-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 130325438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).