N-[3-[2-[2-(4-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C72H51N — CID 146386855

IUPACN-[3-[2-[2-(4-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESC=Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(-c4ccccc4-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4)cc32)cc1
InChIInChI=1S/C72H51N/c1-4-47-29-31-50(32-30-47)51-35-40-63-60-24-11-14-27-66(60)72(69(63)44-51)67-28-15-12-25-61(67)64-41-36-53(45-70(64)72)58-22-9-8-21-57(58)52-19-16-20-55(43-52)73(54-37-33-49(34-38-54)48-17-6-5-7-18-48)56-39-42-62-59-23-10-13-26-65(59)71(2,3)68(62)46-56/h4-46H,1H2,2-3H3
InChIKeyPLXNLPSLKWDKPB-UHFFFAOYSA-N
MW930.21 g/mol
LogP19.12
Rot. Bonds8

About N-[3-[2-[2-(4-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[3-[2-[2-(4-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 146386855) has the molecular formula C72H51N and a molecular weight of 930.21 g/mol. Its IUPAC name is N-[3-[2-[2-(4-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[3-[2-[2-(4-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID146386855
Molecular FormulaC72H51N
Molecular Weight930.21 g/mol
Exact Mass929.40
IUPAC NameN-[3-[2-[2-(4-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESC=Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(-c4ccccc4-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4)cc32)cc1
InChIInChI=1S/C72H51N/c1-4-47-29-31-50(32-30-47)51-35-40-63-60-24-11-14-27-66(60)72(69(63)44-51)67-28-15-12-25-61(67)64-41-36-53(45-70(64)72)58-22-9-8-21-57(58)52-19-16-20-55(43-52)73(54-37-33-49(34-38-54)48-17-6-5-7-18-48)56-39-42-62-59-23-10-13-26-65(59)71(2,3)68(62)46-56/h4-46H,1H2,2-3H3
InChIKeyPLXNLPSLKWDKPB-UHFFFAOYSA-N
XLogP19.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.21
LogP ≤ 519.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
3-[2'-(2-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]-N,N-bis(4-phenylphenyl)aniline;N-[3-[2'-(2-ethenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167610990
N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 142481404
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
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
N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146247503
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298482
N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 129259092
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-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157078177
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine
CID 159624987
CID 167176882
CID 167176882

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(4-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[3-[2-[2-(4-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 146386855) is N-[3-[2-[2-(4-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[3-[2-[2-(4-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[3-[2-[2-(4-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is C=Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3ccc(-c4ccccc4-c4cccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4)cc32)cc1.
What is the InChIKey of N-[3-[2-[2-(4-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is PLXNLPSLKWDKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H51N/c1-4-47-29-31-50(32-30-47)51-35-40-63-60-24-11-14-27-66(60)72(69(63)44-51)67-28-15-12-25-61(67)64-41-36-53(45-70(64)72)58-22-9-8-21-57(58)52-19-16-20-55(43-52)73(54-37-33-49(34-38-54)48-17-6-5-7-18-48)56-39-42-62-59-23-10-13-26-65(59)71(2,3)68(62)46-56/h4-46H,1H2,2-3H3.
What are the key properties of N-[3-[2-[2-(4-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[3-[2-[2-(4-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 930.21 g/mol, XLogP of 19.12, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(4-ethenylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 146386855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).