2-N,2-N',2-N',3'-tetraphenyl-2-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine

C61H42N2 — CID 168791748

IUPAC2-N,2-N',2-N',3'-tetraphenyl-2-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cc(-c5ccccc5)c(N(c5ccccc5)c5ccccc5)cc43)c2)cc1
InChIInChI=1S/C61H42N2/c1-6-21-43(22-7-1)45-25-20-32-49(39-45)62(46-26-10-3-11-27-46)50-37-38-53-51-33-16-18-35-56(51)61(58(53)40-50)57-36-19-17-34-52(57)55-41-54(44-23-8-2-9-24-44)60(42-59(55)61)63(47-28-12-4-13-29-47)48-30-14-5-15-31-48/h1-42H
InChIKeyDMMHIZHKRZWTMK-UHFFFAOYSA-N
MW803.02 g/mol
LogP16.30
Rot. Bonds8

About 2-N,2-N',2-N',3'-tetraphenyl-2-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine

2-N,2-N',2-N',3'-tetraphenyl-2-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine (PubChem CID 168791748) has the molecular formula C61H42N2 and a molecular weight of 803.02 g/mol. Its IUPAC name is 2-N,2-N',2-N',3'-tetraphenyl-2-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine.

Molecular Properties

Compound Name2-N,2-N',2-N',3'-tetraphenyl-2-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
PubChem CID168791748
Molecular FormulaC61H42N2
Molecular Weight803.02 g/mol
Exact Mass802.33
IUPAC Name2-N,2-N',2-N',3'-tetraphenyl-2-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cc(-c5ccccc5)c(N(c5ccccc5)c5ccccc5)cc43)c2)cc1
InChIInChI=1S/C61H42N2/c1-6-21-43(22-7-1)45-25-20-32-49(39-45)62(46-26-10-3-11-27-46)50-37-38-53-51-33-16-18-35-56(51)61(58(53)40-50)57-36-19-17-34-52(57)55-41-54(44-23-8-2-9-24-44)60(42-59(55)61)63(47-28-12-4-13-29-47)48-30-14-5-15-31-48/h1-42H
InChIKeyDMMHIZHKRZWTMK-UHFFFAOYSA-N
XLogP16.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.02
LogP ≤ 516.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-N,2-N',2-N',3'-tetraphenyl-2-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine with MolForge

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Related Compounds

2-N-(9,9-diphenylfluoren-3-yl)-2-N,2-N',2-N',3'-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791813
N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 153433790
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 158705063
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-phenyl-3'-(3-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729743
1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)-5-[2'-(N-(4-phenylphenyl)anilino)-9,9'-spirobi[fluorene]-2-yl]benzene-1,3-diamine
CID 121361274
9,9-dimethyl-3-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 156545394
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
2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 138662093
3-N-phenyl-3-N,3-N',3-N'-tris(3-phenylphenyl)-9,9'-spirobi[fluorene]-3,3'-diamine
CID 167177981
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161087354

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N',2-N',3'-tetraphenyl-2-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine?
The IUPAC name of 2-N,2-N',2-N',3'-tetraphenyl-2-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine (CID 168791748) is 2-N,2-N',2-N',3'-tetraphenyl-2-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine.
What is the SMILES notation for 2-N,2-N',2-N',3'-tetraphenyl-2-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine?
The canonical SMILES for 2-N,2-N',2-N',3'-tetraphenyl-2-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine is c1ccc(-c2cccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cc(-c5ccccc5)c(N(c5ccccc5)c5ccccc5)cc43)c2)cc1.
What is the InChIKey of 2-N,2-N',2-N',3'-tetraphenyl-2-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine?
The InChIKey is DMMHIZHKRZWTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2/c1-6-21-43(22-7-1)45-25-20-32-49(39-45)62(46-26-10-3-11-27-46)50-37-38-53-51-33-16-18-35-56(51)61(58(53)40-50)57-36-19-17-34-52(57)55-41-54(44-23-8-2-9-24-44)60(42-59(55)61)63(47-28-12-4-13-29-47)48-30-14-5-15-31-48/h1-42H.
What are the key properties of 2-N,2-N',2-N',3'-tetraphenyl-2-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine?
2-N,2-N',2-N',3'-tetraphenyl-2-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine has a molecular weight of 803.02 g/mol, XLogP of 16.30, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N',2-N',3'-tetraphenyl-2-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine is sourced from PubChem (CID 168791748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).