N-(9,9-diphenylfluoren-3-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine

C68H45N — CID 121423694

IUPACN-(9,9-diphenylfluoren-3-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(-c2cccc(-c3ccccc3N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C68H45N/c1-4-22-46(23-5-1)47-24-20-25-48(44-47)52-30-14-19-40-64(52)69(51-42-43-62-57(45-51)55-33-12-15-35-58(55)67(62,49-26-6-2-7-27-49)50-28-8-3-9-29-50)65-41-21-39-63-66(65)56-34-13-18-38-61(56)68(63)59-36-16-10-31-53(59)54-32-11-17-37-60(54)68/h1-45H
InChIKeyNPTUNTKFKFBTOJ-UHFFFAOYSA-N
MW876.12 g/mol
LogP17.20
Rot. Bonds7

About N-(9,9-diphenylfluoren-3-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine

N-(9,9-diphenylfluoren-3-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine (PubChem CID 121423694) has the molecular formula C68H45N and a molecular weight of 876.12 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-3-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-3-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
PubChem CID121423694
Molecular FormulaC68H45N
Molecular Weight876.12 g/mol
Exact Mass875.36
IUPAC NameN-(9,9-diphenylfluoren-3-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
SMILESc1ccc(-c2cccc(-c3ccccc3N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1
InChIInChI=1S/C68H45N/c1-4-22-46(23-5-1)47-24-20-25-48(44-47)52-30-14-19-40-64(52)69(51-42-43-62-57(45-51)55-33-12-15-35-58(55)67(62,49-26-6-2-7-27-49)50-28-8-3-9-29-50)65-41-21-39-63-66(65)56-34-13-18-38-61(56)68(63)59-36-16-10-31-53(59)54-32-11-17-37-60(54)68/h1-45H
InChIKeyNPTUNTKFKFBTOJ-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

N-(9,9-diphenylfluoren-3-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121423691
N-(9,9-diphenylfluoren-3-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121423683
N-(9,9-diphenylfluoren-3-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine;N-(9,9-diphenylfluoren-3-yl)-N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 160756851
N,N-bis(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine;N,N-bis(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-4-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 159770549
N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-3-amine
CID 121423447
N-(9,9-dimethylfluoren-4-yl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-3-amine
CID 134487997
4-N-phenyl-3-N'-(2-phenylphenyl)-4-N-(3-phenylphenyl)-3-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 167176826
N-(9,9-dimethylfluoren-3-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 160891941
N-(9,9-diphenylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298454
N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 166566442
N-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 167176838
N-(9,9-diphenylfluoren-4-yl)-N-(2,4-diphenylphenyl)-9,9-diphenylfluoren-2-amine
CID 121423349

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-3-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-(9,9-diphenylfluoren-3-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine (CID 121423694) is N-(9,9-diphenylfluoren-3-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-3-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-3-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine is c1ccc(-c2cccc(-c3ccccc3N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-3-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is NPTUNTKFKFBTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45N/c1-4-22-46(23-5-1)47-24-20-25-48(44-47)52-30-14-19-40-64(52)69(51-42-43-62-57(45-51)55-33-12-15-35-58(55)67(62,49-26-6-2-7-27-49)50-28-8-3-9-29-50)65-41-21-39-63-66(65)56-34-13-18-38-61(56)68(63)59-36-16-10-31-53(59)54-32-11-17-37-60(54)68/h1-45H.
What are the key properties of N-(9,9-diphenylfluoren-3-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine?
N-(9,9-diphenylfluoren-3-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-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-diphenylfluoren-3-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 121423694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).