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

C85H59N3 — CID 121361274

IUPAC1-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
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc54)cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c3)cc2)cc1
InChIInChI=1S/C85H59N3/c1-7-23-60(24-8-1)63-39-46-71(47-40-63)86(68-29-13-4-14-30-68)74-52-54-80-78-36-20-22-38-82(78)85(84(80)59-74)81-37-21-19-35-77(81)79-53-45-66(57-83(79)85)67-55-75(87(69-31-15-5-16-32-69)72-48-41-64(42-49-72)61-25-9-2-10-26-61)58-76(56-67)88(70-33-17-6-18-34-70)73-50-43-65(44-51-73)62-27-11-3-12-28-62/h1-59H
InChIKeyRWMZVAYHDSZLHT-UHFFFAOYSA-N
MW1122.43 g/mol
LogP23.11
Rot. Bonds13

About 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

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 (PubChem CID 121361274) has the molecular formula C85H59N3 and a molecular weight of 1122.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID121361274
Molecular FormulaC85H59N3
Molecular Weight1122.43 g/mol
Exact Mass1121.47
IUPAC Name1-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
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc54)cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c3)cc2)cc1
InChIInChI=1S/C85H59N3/c1-7-23-60(24-8-1)63-39-46-71(47-40-63)86(68-29-13-4-14-30-68)74-52-54-80-78-36-20-22-38-82(78)85(84(80)59-74)81-37-21-19-35-77(81)79-53-45-66(57-83(79)85)67-55-75(87(69-31-15-5-16-32-69)72-48-41-64(42-49-72)61-25-9-2-10-26-61)58-76(56-67)88(70-33-17-6-18-34-70)73-50-43-65(44-51-73)62-27-11-3-12-28-62/h1-59H
InChIKeyRWMZVAYHDSZLHT-UHFFFAOYSA-N
XLogP23.11
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001122.43
LogP ≤ 523.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N,3-N,3-N-tetraphenyl-5-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine
CID 144781112
N,4-diphenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 122452266
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 155079035
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
2'-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177680
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
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391582
2-(2,5-diphenylphenyl)-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 156578662
N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 121423944
2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 21042261
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,N,2',7'-tetraphenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 170240662

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc54)cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is RWMZVAYHDSZLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H59N3/c1-7-23-60(24-8-1)63-39-46-71(47-40-63)86(68-29-13-4-14-30-68)74-52-54-80-78-36-20-22-38-82(78)85(84(80)59-74)81-37-21-19-35-77(81)79-53-45-66(57-83(79)85)67-55-75(87(69-31-15-5-16-32-69)72-48-41-64(42-49-72)61-25-9-2-10-26-61)58-76(56-67)88(70-33-17-6-18-34-70)73-50-43-65(44-51-73)62-27-11-3-12-28-62/h1-59H.
What are the key properties of 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?
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 has a molecular weight of 1122.43 g/mol, XLogP of 23.11, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 121361274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).