N-[9,9-bis(3-tert-butylphenyl)fluoren-2-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine

C73H63N — CID 171453113

IUPACN-[9,9-bis(3-tert-butylphenyl)fluoren-2-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine
SMILESCC(C)(C)c1cccc(C2(c3cccc(C(C)(C)C)c3)c3ccccc3-c3ccc(N(c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)cc32)c1
InChIInChI=1S/C73H63N/c1-69(2,3)50-27-21-29-52(43-50)73(53-30-22-28-51(44-53)70(4,5)6)65-36-20-17-33-59(65)62-42-39-56(47-68(62)73)74(54-37-40-60-57-31-15-18-34-63(57)71(7,66(60)45-54)48-23-11-9-12-24-48)55-38-41-61-58-32-16-19-35-64(58)72(8,67(61)46-55)49-25-13-10-14-26-49/h9-47H,1-8H3
InChIKeyBZGWNJJMGICWSA-UHFFFAOYSA-N
MW954.31 g/mol
LogP18.78
Rot. Bonds7

About N-[9,9-bis(3-tert-butylphenyl)fluoren-2-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine

N-[9,9-bis(3-tert-butylphenyl)fluoren-2-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine (PubChem CID 171453113) has the molecular formula C73H63N and a molecular weight of 954.31 g/mol. Its IUPAC name is N-[9,9-bis(3-tert-butylphenyl)fluoren-2-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[9,9-bis(3-tert-butylphenyl)fluoren-2-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine
PubChem CID171453113
Molecular FormulaC73H63N
Molecular Weight954.31 g/mol
Exact Mass953.50
IUPAC NameN-[9,9-bis(3-tert-butylphenyl)fluoren-2-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine
SMILESCC(C)(C)c1cccc(C2(c3cccc(C(C)(C)C)c3)c3ccccc3-c3ccc(N(c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)cc32)c1
InChIInChI=1S/C73H63N/c1-69(2,3)50-27-21-29-52(43-50)73(53-30-22-28-51(44-53)70(4,5)6)65-36-20-17-33-59(65)62-42-39-56(47-68(62)73)74(54-37-40-60-57-31-15-18-34-63(57)71(7,66(60)45-54)48-23-11-9-12-24-48)55-38-41-61-58-32-16-19-35-64(58)72(8,67(61)46-55)49-25-13-10-14-26-49/h9-47H,1-8H3
InChIKeyBZGWNJJMGICWSA-UHFFFAOYSA-N
XLogP18.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.31
LogP ≤ 518.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-(3-tert-butylphenyl)-N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N,9-diphenylfluoren-2-amine
CID 177067246
9,9-bis(3-tert-butylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]fluoren-2-amine
CID 170215671
N-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine
CID 171453091
9,9-diphenyl-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-3-yl)-9-methyl-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 158414467
N-[9,9-bis(3-tert-butylphenyl)fluoren-1-yl]-2-tert-butyl-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 177067110
9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 171453321
2',7'-ditert-butyl-N,N-bis(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174284062
N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9-methyl-9-phenylfluoren-2-amine
CID 160677650
N,N-bis(9-methyl-9-phenylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 171453575
9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 177067003
6-tert-butyl-9,9-bis(4-tert-butylphenyl)-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 176622694
N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-2-amine
CID 171453021

Frequently Asked Questions

What is the IUPAC name of N-[9,9-bis(3-tert-butylphenyl)fluoren-2-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine?
The IUPAC name of N-[9,9-bis(3-tert-butylphenyl)fluoren-2-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine (CID 171453113) is N-[9,9-bis(3-tert-butylphenyl)fluoren-2-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine.
What is the SMILES notation for N-[9,9-bis(3-tert-butylphenyl)fluoren-2-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine?
The canonical SMILES for N-[9,9-bis(3-tert-butylphenyl)fluoren-2-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine is CC(C)(C)c1cccc(C2(c3cccc(C(C)(C)C)c3)c3ccccc3-c3ccc(N(c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)c4ccc5c(c4)C(C)(c4ccccc4)c4ccccc4-5)cc32)c1.
What is the InChIKey of N-[9,9-bis(3-tert-butylphenyl)fluoren-2-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine?
The InChIKey is BZGWNJJMGICWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H63N/c1-69(2,3)50-27-21-29-52(43-50)73(53-30-22-28-51(44-53)70(4,5)6)65-36-20-17-33-59(65)62-42-39-56(47-68(62)73)74(54-37-40-60-57-31-15-18-34-63(57)71(7,66(60)45-54)48-23-11-9-12-24-48)55-38-41-61-58-32-16-19-35-64(58)72(8,67(61)46-55)49-25-13-10-14-26-49/h9-47H,1-8H3.
What are the key properties of N-[9,9-bis(3-tert-butylphenyl)fluoren-2-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine?
N-[9,9-bis(3-tert-butylphenyl)fluoren-2-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine has a molecular weight of 954.31 g/mol, XLogP of 18.78, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9,9-bis(3-tert-butylphenyl)fluoren-2-yl]-9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenylfluoren-2-amine is sourced from PubChem (CID 171453113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).