9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(6,6,9,9-tetramethyl-11,11-diphenyl-7,8-dihydrobenzo[b]fluoren-4-yl)phenyl]fluoren-4-amine

C66H57N — CID 169029920

IUPAC9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(6,6,9,9-tetramethyl-11,11-diphenyl-7,8-dihydrobenzo[b]fluoren-4-yl)phenyl]fluoren-4-amine
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)-c1c(-c2cccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4-c4ccccc4C5(C)C)c2)cccc1C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C66H57N/c1-63(2)39-40-64(3,4)59-43-57-53(42-58(59)63)61-51(30-19-33-56(61)66(57,47-24-12-8-13-25-47)48-26-14-9-15-27-48)46-23-18-28-50(41-46)67(49-37-35-45(36-38-49)44-21-10-7-11-22-44)60-34-20-32-55-62(60)52-29-16-17-31-54(52)65(55,5)6/h7-38,41-43H,39-40H2,1-6H3
InChIKeyGKCNKHJUBDXJBA-UHFFFAOYSA-N
MW864.19 g/mol
LogP17.51
Rot. Bonds7

About 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(6,6,9,9-tetramethyl-11,11-diphenyl-7,8-dihydrobenzo[b]fluoren-4-yl)phenyl]fluoren-4-amine

9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(6,6,9,9-tetramethyl-11,11-diphenyl-7,8-dihydrobenzo[b]fluoren-4-yl)phenyl]fluoren-4-amine (PubChem CID 169029920) has the molecular formula C66H57N and a molecular weight of 864.19 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(6,6,9,9-tetramethyl-11,11-diphenyl-7,8-dihydrobenzo[b]fluoren-4-yl)phenyl]fluoren-4-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(6,6,9,9-tetramethyl-11,11-diphenyl-7,8-dihydrobenzo[b]fluoren-4-yl)phenyl]fluoren-4-amine
PubChem CID169029920
Molecular FormulaC66H57N
Molecular Weight864.19 g/mol
Exact Mass863.45
IUPAC Name9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(6,6,9,9-tetramethyl-11,11-diphenyl-7,8-dihydrobenzo[b]fluoren-4-yl)phenyl]fluoren-4-amine
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)-c1c(-c2cccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4-c4ccccc4C5(C)C)c2)cccc1C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C66H57N/c1-63(2)39-40-64(3,4)59-43-57-53(42-58(59)63)61-51(30-19-33-56(61)66(57,47-24-12-8-13-25-47)48-26-14-9-15-27-48)46-23-18-28-50(41-46)67(49-37-35-45(36-38-49)44-21-10-7-11-22-44)60-34-20-32-55-62(60)52-29-16-17-31-54(52)65(55,5)6/h7-38,41-43H,39-40H2,1-6H3
InChIKeyGKCNKHJUBDXJBA-UHFFFAOYSA-N
XLogP17.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.19
LogP ≤ 517.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(6,6,9,9-tetramethyl-11,11-diphenyl-7,8-dihydrobenzo[b]fluoren-4-yl)phenyl]fluoren-4-amine with MolForge

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Related Compounds

N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-4-amine
CID 118146121
N-[6-(6,6,9,9,11,11-hexamethyl-7,8-dihydrobenzo[b]fluoren-4-yl)naphthalen-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 169030027
N-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine
CID 163582433
N-(9,9-dimethylfluoren-3-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-3-amine;N-(9,9-dimethylfluoren-4-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 158283164
N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 168788466
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-N-[3-(9,9-diphenylfluoren-1-yl)phenyl]-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 159845982
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-5-(6,6,9,9-tetramethyl-11,11-diphenyl-7,8-dihydrobenzo[b]fluoren-2-yl)naphthalen-1-amine
CID 169029985
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine
CID 161111412
2-N,2-N,5-N,5-N,9,9-hexakis-phenylfluorene-2,5-diamine;2-N,5-N,5-N,9,9-pentakis-phenyl-2-N-(4-phenylphenyl)fluorene-2,5-diamine;2-N,5-N,9,9-tetraphenyl-2-N,5-N-bis(4-phenylphenyl)fluorene-2,5-diamine
CID 159945654
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,4'-diphenyl-9,9'-spirobi[fluorene]-4-amine
CID 129258928
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4'-yl]phenyl]fluoren-4-amine
CID 129259115
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[3-(9-methyl-9-phenylfluoren-4-yl)phenyl]fluoren-2-amine
CID 135193193

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(6,6,9,9-tetramethyl-11,11-diphenyl-7,8-dihydrobenzo[b]fluoren-4-yl)phenyl]fluoren-4-amine?
The IUPAC name of 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(6,6,9,9-tetramethyl-11,11-diphenyl-7,8-dihydrobenzo[b]fluoren-4-yl)phenyl]fluoren-4-amine (CID 169029920) is 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(6,6,9,9-tetramethyl-11,11-diphenyl-7,8-dihydrobenzo[b]fluoren-4-yl)phenyl]fluoren-4-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(6,6,9,9-tetramethyl-11,11-diphenyl-7,8-dihydrobenzo[b]fluoren-4-yl)phenyl]fluoren-4-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(6,6,9,9-tetramethyl-11,11-diphenyl-7,8-dihydrobenzo[b]fluoren-4-yl)phenyl]fluoren-4-amine is CC1(C)CCC(C)(C)c2cc3c(cc21)-c1c(-c2cccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4-c4ccccc4C5(C)C)c2)cccc1C3(c1ccccc1)c1ccccc1.
What is the InChIKey of 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(6,6,9,9-tetramethyl-11,11-diphenyl-7,8-dihydrobenzo[b]fluoren-4-yl)phenyl]fluoren-4-amine?
The InChIKey is GKCNKHJUBDXJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H57N/c1-63(2)39-40-64(3,4)59-43-57-53(42-58(59)63)61-51(30-19-33-56(61)66(57,47-24-12-8-13-25-47)48-26-14-9-15-27-48)46-23-18-28-50(41-46)67(49-37-35-45(36-38-49)44-21-10-7-11-22-44)60-34-20-32-55-62(60)52-29-16-17-31-54(52)65(55,5)6/h7-38,41-43H,39-40H2,1-6H3.
What are the key properties of 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(6,6,9,9-tetramethyl-11,11-diphenyl-7,8-dihydrobenzo[b]fluoren-4-yl)phenyl]fluoren-4-amine?
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(6,6,9,9-tetramethyl-11,11-diphenyl-7,8-dihydrobenzo[b]fluoren-4-yl)phenyl]fluoren-4-amine has a molecular weight of 864.19 g/mol, XLogP of 17.51, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(6,6,9,9-tetramethyl-11,11-diphenyl-7,8-dihydrobenzo[b]fluoren-4-yl)phenyl]fluoren-4-amine is sourced from PubChem (CID 169029920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).