2-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylcyclohexa-2,4-dien-1-yl)-2-N',2-N'-bis(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2'-diamine

C73H56N2 — CID 88673461

IUPAC2-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylcyclohexa-2,4-dien-1-yl)-2-N',2-N'-bis(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2'-diamine
SMILESC1=CC(N(C2=CC3C(C=C2)c2ccccc2C32c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc32)C2=CC=C(c3ccccc3)CC2)CC=C1c1ccccc1
InChIInChI=1S/C73H56N2/c1-5-17-51(18-6-1)55-29-37-59(38-30-55)74(60-39-31-56(32-40-60)52-19-7-2-8-20-52)63-45-47-67-65-25-13-15-27-69(65)73(71(67)49-63)70-28-16-14-26-66(70)68-48-46-64(50-72(68)73)75(61-41-33-57(34-42-61)53-21-9-3-10-22-53)62-43-35-58(36-44-62)54-23-11-4-12-24-54/h1-35,37-41,43,45-50,61,68,72H,36,42,44H2
InChIKeyNDAVFROALWAIJM-UHFFFAOYSA-N
MW961.27 g/mol
LogP18.45
Rot. Bonds10

About 2-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylcyclohexa-2,4-dien-1-yl)-2-N',2-N'-bis(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2'-diamine

2-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylcyclohexa-2,4-dien-1-yl)-2-N',2-N'-bis(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2'-diamine (PubChem CID 88673461) has the molecular formula C73H56N2 and a molecular weight of 961.27 g/mol. Its IUPAC name is 2-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylcyclohexa-2,4-dien-1-yl)-2-N',2-N'-bis(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2'-diamine.

Molecular Properties

Compound Name2-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylcyclohexa-2,4-dien-1-yl)-2-N',2-N'-bis(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2'-diamine
PubChem CID88673461
Molecular FormulaC73H56N2
Molecular Weight961.27 g/mol
Exact Mass960.44
IUPAC Name2-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylcyclohexa-2,4-dien-1-yl)-2-N',2-N'-bis(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2'-diamine
SMILESC1=CC(N(C2=CC3C(C=C2)c2ccccc2C32c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc32)C2=CC=C(c3ccccc3)CC2)CC=C1c1ccccc1
InChIInChI=1S/C73H56N2/c1-5-17-51(18-6-1)55-29-37-59(38-30-55)74(60-39-31-56(32-40-60)52-19-7-2-8-20-52)63-45-47-67-65-25-13-15-27-69(65)73(71(67)49-63)70-28-16-14-26-66(70)68-48-46-64(50-72(68)73)75(61-41-33-57(34-42-61)53-21-9-3-10-22-53)62-43-35-58(36-44-62)54-23-11-4-12-24-54/h1-35,37-41,43,45-50,61,68,72H,36,42,44H2
InChIKeyNDAVFROALWAIJM-UHFFFAOYSA-N
XLogP18.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500961.27
LogP ≤ 518.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylcyclohexa-2,4-dien-1-yl)-2-N',2-N'-bis(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2'-diamine with MolForge

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Related Compounds

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5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-2-[4-phenyl-2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline
CID 139322280
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]cyclohexa-1,3-dien-1-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155222794
N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)-9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-amine
CID 167154612
N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)-4a,9a-dihydrofluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-amine
CID 146516748
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine
CID 134504581
1-N,3-N-bis(2-methyl-4-phenylphenyl)-3-N-(4-phenylcyclohexa-2,4-dien-1-yl)-1-N-(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine
CID 139540997
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N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-3-amine
CID 174252364
2'-[(Z)-3-aminoprop-1-enyl]-N-(9,9-dimethylfluoren-2-yl)-3'-methyl-N-(5-phenylcyclohepta-1,4,6-trien-1-yl)spiro[4a,9a-dihydrofluorene-9,1'-indene]-2-amine
CID 166865639
4-[4-(N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 170235681
N-[4-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 157466743

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylcyclohexa-2,4-dien-1-yl)-2-N',2-N'-bis(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2'-diamine?
The IUPAC name of 2-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylcyclohexa-2,4-dien-1-yl)-2-N',2-N'-bis(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2'-diamine (CID 88673461) is 2-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylcyclohexa-2,4-dien-1-yl)-2-N',2-N'-bis(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2'-diamine.
What is the SMILES notation for 2-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylcyclohexa-2,4-dien-1-yl)-2-N',2-N'-bis(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2'-diamine?
The canonical SMILES for 2-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylcyclohexa-2,4-dien-1-yl)-2-N',2-N'-bis(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2'-diamine is C1=CC(N(C2=CC3C(C=C2)c2ccccc2C32c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)cc32)C2=CC=C(c3ccccc3)CC2)CC=C1c1ccccc1.
What is the InChIKey of 2-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylcyclohexa-2,4-dien-1-yl)-2-N',2-N'-bis(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2'-diamine?
The InChIKey is NDAVFROALWAIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H56N2/c1-5-17-51(18-6-1)55-29-37-59(38-30-55)74(60-39-31-56(32-40-60)52-19-7-2-8-20-52)63-45-47-67-65-25-13-15-27-69(65)73(71(67)49-63)70-28-16-14-26-66(70)68-48-46-64(50-72(68)73)75(61-41-33-57(34-42-61)53-21-9-3-10-22-53)62-43-35-58(36-44-62)54-23-11-4-12-24-54/h1-35,37-41,43,45-50,61,68,72H,36,42,44H2.
What are the key properties of 2-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylcyclohexa-2,4-dien-1-yl)-2-N',2-N'-bis(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2'-diamine?
2-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylcyclohexa-2,4-dien-1-yl)-2-N',2-N'-bis(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2'-diamine has a molecular weight of 961.27 g/mol, XLogP of 18.45, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-phenylcyclohexa-1,3-dien-1-yl)-2-N-(4-phenylcyclohexa-2,4-dien-1-yl)-2-N',2-N'-bis(4-phenylphenyl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2,2'-diamine is sourced from PubChem (CID 88673461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).