2-N,7-N-bis(3-ethenylphenyl)-9,9-dimethyl-2-N,7-N-bis[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine

C67H52N2 — CID 58113612

IUPAC2-N,7-N-bis(3-ethenylphenyl)-9,9-dimethyl-2-N,7-N-bis[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
SMILESC=Cc1cccc(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4cccc(C=C)c4)ccc2-3)c1
InChIInChI=1S/C67H52N2/c1-5-47-15-13-21-59(43-47)68(57-35-31-55(32-36-57)53-27-23-51(24-28-53)49-17-9-7-10-18-49)61-39-41-63-64-42-40-62(46-66(64)67(3,4)65(63)45-61)69(60-22-14-16-48(6-2)44-60)58-37-33-56(34-38-58)54-29-25-52(26-30-54)50-19-11-8-12-20-50/h5-46H,1-2H2,3-4H3
InChIKeyJZLGWOBWDMJIAY-UHFFFAOYSA-N
MW885.17 g/mol
LogP18.89
Rot. Bonds12

About 2-N,7-N-bis(3-ethenylphenyl)-9,9-dimethyl-2-N,7-N-bis[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine

2-N,7-N-bis(3-ethenylphenyl)-9,9-dimethyl-2-N,7-N-bis[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine (PubChem CID 58113612) has the molecular formula C67H52N2 and a molecular weight of 885.17 g/mol. Its IUPAC name is 2-N,7-N-bis(3-ethenylphenyl)-9,9-dimethyl-2-N,7-N-bis[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine.

Molecular Properties

Compound Name2-N,7-N-bis(3-ethenylphenyl)-9,9-dimethyl-2-N,7-N-bis[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
PubChem CID58113612
Molecular FormulaC67H52N2
Molecular Weight885.17 g/mol
Exact Mass884.41
IUPAC Name2-N,7-N-bis(3-ethenylphenyl)-9,9-dimethyl-2-N,7-N-bis[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
SMILESC=Cc1cccc(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4cccc(C=C)c4)ccc2-3)c1
InChIInChI=1S/C67H52N2/c1-5-47-15-13-21-59(43-47)68(57-35-31-55(32-36-57)53-27-23-51(24-28-53)49-17-9-7-10-18-49)61-39-41-63-64-42-40-62(46-66(64)67(3,4)65(63)45-61)69(60-22-14-16-48(6-2)44-60)58-37-33-56(34-38-58)54-29-25-52(26-30-54)50-19-11-8-12-20-50/h5-46H,1-2H2,3-4H3
InChIKeyJZLGWOBWDMJIAY-UHFFFAOYSA-N
XLogP18.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.17
LogP ≤ 518.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-N,7-N-bis(3-ethenylphenyl)-9,9-dimethyl-2-N,7-N-bis[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine with MolForge

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Related Compounds

9,9-dimethyl-2-N,7-N-diphenyl-2-N-[4-(N-phenylanilino)phenyl]-7-N-[4-(2-phenylethenyl)phenyl]fluorene-2,7-diamine;1-N,1-N-diphenyl-4-N-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(2-phenylethenyl)anilino]phenyl]phenyl]-4-N-[4-(2-phenylethenyl)phenyl]benzene-1,4-diamine;1-N,4-N-diphenyl-1-N-[4-(2-phenylethenyl)phenyl]-4-N-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]benzene-1,4-diamine;1-N,1-N-diphenyl-4-N-[4-(2-phenylethenyl)phenyl]-4-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;N-phenyl-4-(2-phenylethenyl)-N-[4-[4-(N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 159986160
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 23561352
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
3-[2'-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]-N,N-bis(4-phenylphenyl)aniline;N-[2-[2-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167620529
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-[4-[4-[2-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-[2'-(3-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167540771
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
11,11,12,12-tetramethyl-2-N,2-N,9-N,9-N-tetrakis(4-phenylphenyl)indeno[2,1-a]fluorene-2,9-diamine
CID 89308295
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]ethenyl]phenyl]fluoren-2-amine
CID 90889703
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 118428449

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(3-ethenylphenyl)-9,9-dimethyl-2-N,7-N-bis[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine?
The IUPAC name of 2-N,7-N-bis(3-ethenylphenyl)-9,9-dimethyl-2-N,7-N-bis[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine (CID 58113612) is 2-N,7-N-bis(3-ethenylphenyl)-9,9-dimethyl-2-N,7-N-bis[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine.
What is the SMILES notation for 2-N,7-N-bis(3-ethenylphenyl)-9,9-dimethyl-2-N,7-N-bis[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine?
The canonical SMILES for 2-N,7-N-bis(3-ethenylphenyl)-9,9-dimethyl-2-N,7-N-bis[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine is C=Cc1cccc(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4cccc(C=C)c4)ccc2-3)c1.
What is the InChIKey of 2-N,7-N-bis(3-ethenylphenyl)-9,9-dimethyl-2-N,7-N-bis[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine?
The InChIKey is JZLGWOBWDMJIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H52N2/c1-5-47-15-13-21-59(43-47)68(57-35-31-55(32-36-57)53-27-23-51(24-28-53)49-17-9-7-10-18-49)61-39-41-63-64-42-40-62(46-66(64)67(3,4)65(63)45-61)69(60-22-14-16-48(6-2)44-60)58-37-33-56(34-38-58)54-29-25-52(26-30-54)50-19-11-8-12-20-50/h5-46H,1-2H2,3-4H3.
What are the key properties of 2-N,7-N-bis(3-ethenylphenyl)-9,9-dimethyl-2-N,7-N-bis[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine?
2-N,7-N-bis(3-ethenylphenyl)-9,9-dimethyl-2-N,7-N-bis[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine has a molecular weight of 885.17 g/mol, XLogP of 18.89, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-bis(3-ethenylphenyl)-9,9-dimethyl-2-N,7-N-bis[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine is sourced from PubChem (CID 58113612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).