N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine

C77H55N — CID 154972931

IUPACN,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)c3cccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)ccc21
InChIInChI=1S/C77H55N/c1-75(2)69-38-18-15-35-63(69)68-51-62(43-46-70(68)75)78(60-33-21-23-52(47-60)54-41-44-73-66(49-54)64-36-16-19-39-71(64)76(73,56-25-7-3-8-26-56)57-27-9-4-10-28-57)61-34-22-24-53(48-61)55-42-45-74-67(50-55)65-37-17-20-40-72(65)77(74,58-29-11-5-12-30-58)59-31-13-6-14-32-59/h3-51H,1-2H3
InChIKeyMLONJOLCGVVWRT-UHFFFAOYSA-N
MW994.29 g/mol
LogP19.52
Rot. Bonds9

About N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine

N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine (PubChem CID 154972931) has the molecular formula C77H55N and a molecular weight of 994.29 g/mol. Its IUPAC name is N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine.

Molecular Properties

Compound NameN,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine
PubChem CID154972931
Molecular FormulaC77H55N
Molecular Weight994.29 g/mol
Exact Mass993.43
IUPAC NameN,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)c3cccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)ccc21
InChIInChI=1S/C77H55N/c1-75(2)69-38-18-15-35-63(69)68-51-62(43-46-70(68)75)78(60-33-21-23-52(47-60)54-41-44-73-66(49-54)64-36-16-19-39-71(64)76(73,56-25-7-3-8-26-56)57-27-9-4-10-28-57)61-34-22-24-53(48-61)55-42-45-74-67(50-55)65-37-17-20-40-72(65)77(74,58-29-11-5-12-30-58)59-31-13-6-14-32-59/h3-51H,1-2H3
InChIKeyMLONJOLCGVVWRT-UHFFFAOYSA-N
XLogP19.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500994.29
LogP ≤ 519.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 170375601
3-(9,9-diphenylfluoren-3-yl)-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
CID 162510737
N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-3-phenylaniline
CID 162510714
N,N-bis[3-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 154972916
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 126548554
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-[3-(9,9-dimethylfluoren-2-yl)phenyl]-3-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 175618041
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 142481064
N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 134508270
9,9-dimethyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 139384269
2-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-diphenylfluoren-3-yl)phenyl]aniline
CID 170142523
N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 154972869

Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine?
The IUPAC name of N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine (CID 154972931) is N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine.
What is the SMILES notation for N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine?
The canonical SMILES for N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3cccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)c3cccc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)ccc21.
What is the InChIKey of N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine?
The InChIKey is MLONJOLCGVVWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H55N/c1-75(2)69-38-18-15-35-63(69)68-51-62(43-46-70(68)75)78(60-33-21-23-52(47-60)54-41-44-73-66(49-54)64-36-16-19-39-71(64)76(73,56-25-7-3-8-26-56)57-27-9-4-10-28-57)61-34-22-24-53(48-61)55-42-45-74-67(50-55)65-37-17-20-40-72(65)77(74,58-29-11-5-12-30-58)59-31-13-6-14-32-59/h3-51H,1-2H3.
What are the key properties of N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine?
N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine has a molecular weight of 994.29 g/mol, XLogP of 19.52, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine is sourced from PubChem (CID 154972931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).