6-cyclohexyl-N,N-bis(9,9-dimethylfluoren-2-yl)-8-(2,4,6-trimethylphenyl)dibenzofuran-4-amine

C57H53NO — CID 174314025

IUPAC6-cyclohexyl-N,N-bis(9,9-dimethylfluoren-2-yl)-8-(2,4,6-trimethylphenyl)dibenzofuran-4-amine
SMILESCc1cc(C)c(-c2cc(C3CCCCC3)c3oc4c(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cccc4c3c2)c(C)c1
InChIInChI=1S/C57H53NO/c1-34-28-35(2)53(36(3)29-34)38-30-46(37-16-9-8-10-17-37)54-47(31-38)45-20-15-23-52(55(45)59-54)58(39-24-26-43-41-18-11-13-21-48(41)56(4,5)50(43)32-39)40-25-27-44-42-19-12-14-22-49(42)57(6,7)51(44)33-40/h11-15,18-33,37H,8-10,16-17H2,1-7H3
InChIKeyPKLZCPLBBRMXPC-UHFFFAOYSA-N
MW768.06 g/mol
LogP16.31
Rot. Bonds5

About 6-cyclohexyl-N,N-bis(9,9-dimethylfluoren-2-yl)-8-(2,4,6-trimethylphenyl)dibenzofuran-4-amine

6-cyclohexyl-N,N-bis(9,9-dimethylfluoren-2-yl)-8-(2,4,6-trimethylphenyl)dibenzofuran-4-amine (PubChem CID 174314025) has the molecular formula C57H53NO and a molecular weight of 768.06 g/mol. Its IUPAC name is 6-cyclohexyl-N,N-bis(9,9-dimethylfluoren-2-yl)-8-(2,4,6-trimethylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound Name6-cyclohexyl-N,N-bis(9,9-dimethylfluoren-2-yl)-8-(2,4,6-trimethylphenyl)dibenzofuran-4-amine
PubChem CID174314025
Molecular FormulaC57H53NO
Molecular Weight768.06 g/mol
Exact Mass767.41
IUPAC Name6-cyclohexyl-N,N-bis(9,9-dimethylfluoren-2-yl)-8-(2,4,6-trimethylphenyl)dibenzofuran-4-amine
SMILESCc1cc(C)c(-c2cc(C3CCCCC3)c3oc4c(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cccc4c3c2)c(C)c1
InChIInChI=1S/C57H53NO/c1-34-28-35(2)53(36(3)29-34)38-30-46(37-16-9-8-10-17-37)54-47(31-38)45-20-15-23-52(55(45)59-54)58(39-24-26-43-41-18-11-13-21-48(41)56(4,5)50(43)32-39)40-25-27-44-42-19-12-14-22-49(42)57(6,7)51(44)33-40/h11-15,18-33,37H,8-10,16-17H2,1-7H3
InChIKeyPKLZCPLBBRMXPC-UHFFFAOYSA-N
XLogP16.31
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.06
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-cyclohexyl-N,N-bis(9,9-dimethylfluoren-2-yl)-8-(2,4,6-trimethylphenyl)dibenzofuran-4-amine with MolForge

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Related Compounds

6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 165082497
6-cyclohexyl-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-phenyldibenzofuran-4-amine
CID 90139832
N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-[4-(4-cyclohexylphenyl)phenyl]dibenzofuran-4-amine
CID 165022366
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403199
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-6-(4-triphenylen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169295211
N-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384788
N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine
CID 149287713
N-(2-cyclohexylphenyl)-9,9-dimethyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538778
N-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169295713
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169296235
N-[2-(2-cyclohexylphenyl)phenyl]-N-[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168771699
N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169022015

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-N,N-bis(9,9-dimethylfluoren-2-yl)-8-(2,4,6-trimethylphenyl)dibenzofuran-4-amine?
The IUPAC name of 6-cyclohexyl-N,N-bis(9,9-dimethylfluoren-2-yl)-8-(2,4,6-trimethylphenyl)dibenzofuran-4-amine (CID 174314025) is 6-cyclohexyl-N,N-bis(9,9-dimethylfluoren-2-yl)-8-(2,4,6-trimethylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for 6-cyclohexyl-N,N-bis(9,9-dimethylfluoren-2-yl)-8-(2,4,6-trimethylphenyl)dibenzofuran-4-amine?
The canonical SMILES for 6-cyclohexyl-N,N-bis(9,9-dimethylfluoren-2-yl)-8-(2,4,6-trimethylphenyl)dibenzofuran-4-amine is Cc1cc(C)c(-c2cc(C3CCCCC3)c3oc4c(N(c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cccc4c3c2)c(C)c1.
What is the InChIKey of 6-cyclohexyl-N,N-bis(9,9-dimethylfluoren-2-yl)-8-(2,4,6-trimethylphenyl)dibenzofuran-4-amine?
The InChIKey is PKLZCPLBBRMXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H53NO/c1-34-28-35(2)53(36(3)29-34)38-30-46(37-16-9-8-10-17-37)54-47(31-38)45-20-15-23-52(55(45)59-54)58(39-24-26-43-41-18-11-13-21-48(41)56(4,5)50(43)32-39)40-25-27-44-42-19-12-14-22-49(42)57(6,7)51(44)33-40/h11-15,18-33,37H,8-10,16-17H2,1-7H3.
What are the key properties of 6-cyclohexyl-N,N-bis(9,9-dimethylfluoren-2-yl)-8-(2,4,6-trimethylphenyl)dibenzofuran-4-amine?
6-cyclohexyl-N,N-bis(9,9-dimethylfluoren-2-yl)-8-(2,4,6-trimethylphenyl)dibenzofuran-4-amine has a molecular weight of 768.06 g/mol, XLogP of 16.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-N,N-bis(9,9-dimethylfluoren-2-yl)-8-(2,4,6-trimethylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 174314025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).