N-(3-tert-butyl-4-phenylphenyl)-9-cyclohexa-1,3-dien-1-yl-N-(7,8-dihydronaphthalen-2-yl)-6,9-diphenyl-7,8-dihydrofluoren-2-amine

C57H51N — CID 170096450

IUPACN-(3-tert-butyl-4-phenylphenyl)-9-cyclohexa-1,3-dien-1-yl-N-(7,8-dihydronaphthalen-2-yl)-6,9-diphenyl-7,8-dihydrofluoren-2-amine
SMILESCC(C)(C)c1cc(N(c2ccc3c(c2)CCC=C3)c2ccc3c(c2)C(C2=CC=CCC2)(c2ccccc2)C2=C3C=C(c3ccccc3)CC2)ccc1-c1ccccc1
InChIInChI=1S/C57H51N/c1-56(2,3)54-38-48(31-33-50(54)42-21-10-5-11-22-42)58(47-30-28-41-20-16-17-23-43(41)36-47)49-32-34-51-52-37-44(40-18-8-4-9-19-40)29-35-53(52)57(55(51)39-49,45-24-12-6-13-25-45)46-26-14-7-15-27-46/h4-14,16,18-22,24-26,28,30-34,36-39H,15,17,23,27,29,35H2,1-3H3
InChIKeyJDTFXOYIQPBYJV-UHFFFAOYSA-N
MW750.04 g/mol
LogP15.29
Rot. Bonds7

About N-(3-tert-butyl-4-phenylphenyl)-9-cyclohexa-1,3-dien-1-yl-N-(7,8-dihydronaphthalen-2-yl)-6,9-diphenyl-7,8-dihydrofluoren-2-amine

N-(3-tert-butyl-4-phenylphenyl)-9-cyclohexa-1,3-dien-1-yl-N-(7,8-dihydronaphthalen-2-yl)-6,9-diphenyl-7,8-dihydrofluoren-2-amine (PubChem CID 170096450) has the molecular formula C57H51N and a molecular weight of 750.04 g/mol. Its IUPAC name is N-(3-tert-butyl-4-phenylphenyl)-9-cyclohexa-1,3-dien-1-yl-N-(7,8-dihydronaphthalen-2-yl)-6,9-diphenyl-7,8-dihydrofluoren-2-amine.

Molecular Properties

Compound NameN-(3-tert-butyl-4-phenylphenyl)-9-cyclohexa-1,3-dien-1-yl-N-(7,8-dihydronaphthalen-2-yl)-6,9-diphenyl-7,8-dihydrofluoren-2-amine
PubChem CID170096450
Molecular FormulaC57H51N
Molecular Weight750.04 g/mol
Exact Mass749.40
IUPAC NameN-(3-tert-butyl-4-phenylphenyl)-9-cyclohexa-1,3-dien-1-yl-N-(7,8-dihydronaphthalen-2-yl)-6,9-diphenyl-7,8-dihydrofluoren-2-amine
SMILESCC(C)(C)c1cc(N(c2ccc3c(c2)CCC=C3)c2ccc3c(c2)C(C2=CC=CCC2)(c2ccccc2)C2=C3C=C(c3ccccc3)CC2)ccc1-c1ccccc1
InChIInChI=1S/C57H51N/c1-56(2,3)54-38-48(31-33-50(54)42-21-10-5-11-22-42)58(47-30-28-41-20-16-17-23-43(41)36-47)49-32-34-51-52-37-44(40-18-8-4-9-19-40)29-35-53(52)57(55(51)39-49,45-24-12-6-13-25-45)46-26-14-7-15-27-46/h4-14,16,18-22,24-26,28,30-34,36-39H,15,17,23,27,29,35H2,1-3H3
InChIKeyJDTFXOYIQPBYJV-UHFFFAOYSA-N
XLogP15.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.04
LogP ≤ 515.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(3-tert-butyl-4-phenylphenyl)-9-cyclohexa-1,3-dien-1-yl-N-(7,8-dihydronaphthalen-2-yl)-6,9-diphenyl-7,8-dihydrofluoren-2-amine with MolForge

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Related Compounds

N-(7,8-dihydronaphthalen-2-yl)-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-9-phenyl-7,8-dihydrocarbazol-2-amine
CID 166686450
N-[2-[5-(9-cyclohexa-1,3-dien-1-yl-9-phenyl-1,2-dihydrofluoren-3-yl)cyclohexa-2,4-dien-1-yl]phenyl]-N-[3-(6,7-dihydrodibenzofuran-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 156827387
N-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
CID 144583099
N-[4-(5,6-dihydronaphthalen-2-yl)phenyl]-N-[4-(7,8-dihydronaphthalen-2-yl)phenyl]-3,4-diphenylaniline
CID 134194347
4-N-(9,9-diphenyl-5,6-dihydrofluoren-2-yl)-1-N-methyl-1-N,4-N-diphenylbenzene-1,4-diamine
CID 70907150
9-cyclohexa-1,3-dien-1-yl-2-methyl-9-phenyl-1,2-dihydrofluorene
CID 142567565
N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-methyl-5,9-diphenylfluoren-2-amine
CID 167219072
N-methyl-N-(4-phenylphenyl)-7,8-dihydronaphthalen-2-amine
CID 70877215
7-bromo-9-cyclopenta-1,3-dien-1-yl-N,N,9-triphenylfluoren-2-amine
CID 144990340
N-(9',9'-dimethylspiro[7,8-dihydrofluorene-9,10'-anthracene]-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 142480985
9-cyclohexa-1,3-dien-1-yl-N-(3-dibenzofuran-4-ylphenyl)-N-(3,4-dimethylnaphthalen-1-yl)-9-phenylfluoren-2-amine
CID 144660484
N,4-diphenyl-N-[4-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]phenyl]aniline
CID 70822820

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-4-phenylphenyl)-9-cyclohexa-1,3-dien-1-yl-N-(7,8-dihydronaphthalen-2-yl)-6,9-diphenyl-7,8-dihydrofluoren-2-amine?
The IUPAC name of N-(3-tert-butyl-4-phenylphenyl)-9-cyclohexa-1,3-dien-1-yl-N-(7,8-dihydronaphthalen-2-yl)-6,9-diphenyl-7,8-dihydrofluoren-2-amine (CID 170096450) is N-(3-tert-butyl-4-phenylphenyl)-9-cyclohexa-1,3-dien-1-yl-N-(7,8-dihydronaphthalen-2-yl)-6,9-diphenyl-7,8-dihydrofluoren-2-amine.
What is the SMILES notation for N-(3-tert-butyl-4-phenylphenyl)-9-cyclohexa-1,3-dien-1-yl-N-(7,8-dihydronaphthalen-2-yl)-6,9-diphenyl-7,8-dihydrofluoren-2-amine?
The canonical SMILES for N-(3-tert-butyl-4-phenylphenyl)-9-cyclohexa-1,3-dien-1-yl-N-(7,8-dihydronaphthalen-2-yl)-6,9-diphenyl-7,8-dihydrofluoren-2-amine is CC(C)(C)c1cc(N(c2ccc3c(c2)CCC=C3)c2ccc3c(c2)C(C2=CC=CCC2)(c2ccccc2)C2=C3C=C(c3ccccc3)CC2)ccc1-c1ccccc1.
What is the InChIKey of N-(3-tert-butyl-4-phenylphenyl)-9-cyclohexa-1,3-dien-1-yl-N-(7,8-dihydronaphthalen-2-yl)-6,9-diphenyl-7,8-dihydrofluoren-2-amine?
The InChIKey is JDTFXOYIQPBYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H51N/c1-56(2,3)54-38-48(31-33-50(54)42-21-10-5-11-22-42)58(47-30-28-41-20-16-17-23-43(41)36-47)49-32-34-51-52-37-44(40-18-8-4-9-19-40)29-35-53(52)57(55(51)39-49,45-24-12-6-13-25-45)46-26-14-7-15-27-46/h4-14,16,18-22,24-26,28,30-34,36-39H,15,17,23,27,29,35H2,1-3H3.
What are the key properties of N-(3-tert-butyl-4-phenylphenyl)-9-cyclohexa-1,3-dien-1-yl-N-(7,8-dihydronaphthalen-2-yl)-6,9-diphenyl-7,8-dihydrofluoren-2-amine?
N-(3-tert-butyl-4-phenylphenyl)-9-cyclohexa-1,3-dien-1-yl-N-(7,8-dihydronaphthalen-2-yl)-6,9-diphenyl-7,8-dihydrofluoren-2-amine has a molecular weight of 750.04 g/mol, XLogP of 15.29, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-4-phenylphenyl)-9-cyclohexa-1,3-dien-1-yl-N-(7,8-dihydronaphthalen-2-yl)-6,9-diphenyl-7,8-dihydrofluoren-2-amine is sourced from PubChem (CID 170096450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).