N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]benzo[g]fluoren-9-amine

C56H43N — CID 169285223

IUPACN-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]benzo[g]fluoren-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccc5ccccc5c3-4)c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)cc21
InChIInChI=1S/C56H43N/c1-55(2)48-26-12-10-22-43(48)44-31-29-39(34-50(44)55)57(40-30-32-47-51(35-40)56(3,4)49-33-28-37-18-8-9-21-42(37)54(47)49)52-27-13-11-23-45(52)46-25-15-20-38-19-14-24-41(53(38)46)36-16-6-5-7-17-36/h5-35H,1-4H3
InChIKeyYVKSQGWYHOPINK-UHFFFAOYSA-N
MW729.97 g/mol
LogP15.41
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]benzo[g]fluoren-9-amine

N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]benzo[g]fluoren-9-amine (PubChem CID 169285223) has the molecular formula C56H43N and a molecular weight of 729.97 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]benzo[g]fluoren-9-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]benzo[g]fluoren-9-amine
PubChem CID169285223
Molecular FormulaC56H43N
Molecular Weight729.97 g/mol
Exact Mass729.34
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]benzo[g]fluoren-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccc5ccccc5c3-4)c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)cc21
InChIInChI=1S/C56H43N/c1-55(2)48-26-12-10-22-43(48)44-31-29-39(34-50(44)55)57(40-30-32-47-51(35-40)56(3,4)49-33-28-37-18-8-9-21-42(37)54(47)49)52-27-13-11-23-45(52)46-25-15-20-38-19-14-24-41(53(38)46)36-16-6-5-7-17-36/h5-35H,1-4H3
InChIKeyYVKSQGWYHOPINK-UHFFFAOYSA-N
XLogP15.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.97
LogP ≤ 515.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-phenylphenyl)fluoren-2-amine
CID 164774447
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(3-naphthalen-1-ylphenyl)benzo[g]fluoren-9-amine
CID 166974898
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 165158535
N-(7,7-dimethylbenzo[g]fluoren-9-yl)-N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-9,9'-spirobi[fluorene]-4-amine
CID 129259070
9,9-dimethyl-N-naphthalen-2-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 170303411
N-(7,7-dimethylbenzo[g]fluoren-9-yl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
CID 130290740
2-(9,9-dimethylfluoren-2-yl)-N-(2-phenanthren-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170303468
2-(9,9-dimethylfluoren-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170303385
N-(3,5-ditert-butylphenyl)-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170291586
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenylfluoren-2-amine
CID 176611486
9,9-dimethyl-N-(4-phenanthren-4-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118368668

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]benzo[g]fluoren-9-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]benzo[g]fluoren-9-amine (CID 169285223) is N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]benzo[g]fluoren-9-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]benzo[g]fluoren-9-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]benzo[g]fluoren-9-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccc5ccccc5c3-4)c3ccccc3-c3cccc4cccc(-c5ccccc5)c34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]benzo[g]fluoren-9-amine?
The InChIKey is YVKSQGWYHOPINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H43N/c1-55(2)48-26-12-10-22-43(48)44-31-29-39(34-50(44)55)57(40-30-32-47-51(35-40)56(3,4)49-33-28-37-18-8-9-21-42(37)54(47)49)52-27-13-11-23-45(52)46-25-15-20-38-19-14-24-41(53(38)46)36-16-6-5-7-17-36/h5-35H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]benzo[g]fluoren-9-amine?
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]benzo[g]fluoren-9-amine has a molecular weight of 729.97 g/mol, XLogP of 15.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]benzo[g]fluoren-9-amine is sourced from PubChem (CID 169285223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).