N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)-4-phenylphenyl]fluoren-2-amine

C78H59N — CID 142481137

IUPACN-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)-4-phenylphenyl]fluoren-2-amine
SMILESCC1C=CC(c2cc(-c3ccccc3)ccc2N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)=CC1
InChIInChI=1S/C78H59N/c1-52-35-37-55(38-36-52)66-49-56(53-21-7-4-8-22-53)42-48-75(66)79(61-45-47-64-62-27-13-15-29-67(62)76(2,3)73(64)51-61)60-43-39-54(40-44-60)57-41-46-65-63-28-14-16-30-68(63)78(74(65)50-57)71-33-19-17-31-69(71)77(58-23-9-5-10-24-58,59-25-11-6-12-26-59)70-32-18-20-34-72(70)78/h4-35,37-52H,36H2,1-3H3
InChIKeyHRUDAUAIXSIMOJ-UHFFFAOYSA-N
MW1010.34 g/mol
LogP19.84
Rot. Bonds8

About N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)-4-phenylphenyl]fluoren-2-amine

N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)-4-phenylphenyl]fluoren-2-amine (PubChem CID 142481137) has the molecular formula C78H59N and a molecular weight of 1010.34 g/mol. Its IUPAC name is N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)-4-phenylphenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)-4-phenylphenyl]fluoren-2-amine
PubChem CID142481137
Molecular FormulaC78H59N
Molecular Weight1010.34 g/mol
Exact Mass1009.46
IUPAC NameN-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)-4-phenylphenyl]fluoren-2-amine
SMILESCC1C=CC(c2cc(-c3ccccc3)ccc2N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)=CC1
InChIInChI=1S/C78H59N/c1-52-35-37-55(38-36-52)66-49-56(53-21-7-4-8-22-53)42-48-75(66)79(61-45-47-64-62-27-13-15-29-67(62)76(2,3)73(64)51-61)60-43-39-54(40-44-60)57-41-46-65-63-28-14-16-30-68(63)78(74(65)50-57)71-33-19-17-31-69(71)77(58-23-9-5-10-24-58,59-25-11-6-12-26-59)70-32-18-20-34-72(70)78/h4-35,37-52H,36H2,1-3H3
InChIKeyHRUDAUAIXSIMOJ-UHFFFAOYSA-N
XLogP19.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001010.34
LogP ≤ 519.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)-4-phenylphenyl]fluoren-2-amine with MolForge

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine;N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-2'-amine
CID 159519598
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298338
3-[4-[4-[N,4-bis(9,9-dimethylfluoren-2-yl)anilino]phenyl]phenyl]-N-[6-[7-[(9,9-diphenylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 139519919
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 142481064
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylaniline
CID 146576437
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 142481385
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine
CID 118298327
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
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 126548554
9,9-dimethyl-N-(4-phenylphenyl)-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 163787902
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)-9,9-dimethyl-N-[2-phenyl-4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2,5-dimethyl-4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-[2,5-dimethyl-4-(4-phenylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 158351928

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)-4-phenylphenyl]fluoren-2-amine?
The IUPAC name of N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)-4-phenylphenyl]fluoren-2-amine (CID 142481137) is N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)-4-phenylphenyl]fluoren-2-amine.
What is the SMILES notation for N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)-4-phenylphenyl]fluoren-2-amine?
The canonical SMILES for N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)-4-phenylphenyl]fluoren-2-amine is CC1C=CC(c2cc(-c3ccccc3)ccc2N(c2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)cc2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)=CC1.
What is the InChIKey of N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)-4-phenylphenyl]fluoren-2-amine?
The InChIKey is HRUDAUAIXSIMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H59N/c1-52-35-37-55(38-36-52)66-49-56(53-21-7-4-8-22-53)42-48-75(66)79(61-45-47-64-62-27-13-15-29-67(62)76(2,3)73(64)51-61)60-43-39-54(40-44-60)57-41-46-65-63-28-14-16-30-68(63)78(74(65)50-57)71-33-19-17-31-69(71)77(58-23-9-5-10-24-58,59-25-11-6-12-26-59)70-32-18-20-34-72(70)78/h4-35,37-52H,36H2,1-3H3.
What are the key properties of N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)-4-phenylphenyl]fluoren-2-amine?
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)-4-phenylphenyl]fluoren-2-amine has a molecular weight of 1010.34 g/mol, XLogP of 19.84, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)-4-phenylphenyl]fluoren-2-amine is sourced from PubChem (CID 142481137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).