4-phenyl-N,N-bis(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline

C61H41N — CID 137469859

IUPAC4-phenyl-N,N-bis(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)c(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c3)cc2)cc1
InChIInChI=1S/C61H41N/c1-4-16-42(17-5-1)44-28-33-48(34-29-44)62(49-35-30-45(31-36-49)43-18-6-2-7-19-43)50-37-38-51(46-20-8-3-9-21-46)55(41-50)47-32-39-60-56(40-47)54-24-12-15-27-59(54)61(60)57-25-13-10-22-52(57)53-23-11-14-26-58(53)61/h1-41H
InChIKeyQTEKNMHBSDHQIX-UHFFFAOYSA-N
MW788.01 g/mol
LogP16.17
Rot. Bonds7

About 4-phenyl-N,N-bis(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline

4-phenyl-N,N-bis(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline (PubChem CID 137469859) has the molecular formula C61H41N and a molecular weight of 788.01 g/mol. Its IUPAC name is 4-phenyl-N,N-bis(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline.

Molecular Properties

Compound Name4-phenyl-N,N-bis(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline
PubChem CID137469859
Molecular FormulaC61H41N
Molecular Weight788.01 g/mol
Exact Mass787.32
IUPAC Name4-phenyl-N,N-bis(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)c(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c3)cc2)cc1
InChIInChI=1S/C61H41N/c1-4-16-42(17-5-1)44-28-33-48(34-29-44)62(49-35-30-45(31-36-49)43-18-6-2-7-19-43)50-37-38-51(46-20-8-3-9-21-46)55(41-50)47-32-39-60-56(40-47)54-24-12-15-27-59(54)61(60)57-25-13-10-22-52(57)53-23-11-14-26-58(53)61/h1-41H
InChIKeyQTEKNMHBSDHQIX-UHFFFAOYSA-N
XLogP16.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.01
LogP ≤ 516.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[4-(cyclodecapentaenyl)phenyl]-3-phenylphenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 134194372
3-N,3-N,3-N',3-N'-tetrakis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167236339
N-(4-phenylphenyl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 121477535
2-(2,5-diphenylphenyl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 156578662
N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 166663853
2'-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177680
N,N-bis[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 168750058
N-(3,4-diphenylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 155114306
N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 121423944
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
3'-chloro-N-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 146539095
N-(4-bromophenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 126702741

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N,N-bis(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline?
The IUPAC name of 4-phenyl-N,N-bis(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline (CID 137469859) is 4-phenyl-N,N-bis(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline.
What is the SMILES notation for 4-phenyl-N,N-bis(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline?
The canonical SMILES for 4-phenyl-N,N-bis(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)c(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c3)cc2)cc1.
What is the InChIKey of 4-phenyl-N,N-bis(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline?
The InChIKey is QTEKNMHBSDHQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N/c1-4-16-42(17-5-1)44-28-33-48(34-29-44)62(49-35-30-45(31-36-49)43-18-6-2-7-19-43)50-37-38-51(46-20-8-3-9-21-46)55(41-50)47-32-39-60-56(40-47)54-24-12-15-27-59(54)61(60)57-25-13-10-22-52(57)53-23-11-14-26-58(53)61/h1-41H.
What are the key properties of 4-phenyl-N,N-bis(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline?
4-phenyl-N,N-bis(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline has a molecular weight of 788.01 g/mol, XLogP of 16.17, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N,N-bis(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline is sourced from PubChem (CID 137469859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).