6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine

C45H39NO — CID 165082497

IUPAC6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3oc3c(C5CCCCC5)cccc34)cc21
InChIInChI=1S/C45H39NO/c1-45(2)39-24-11-9-20-35(39)36-28-27-32(29-40(36)45)46(41-25-12-10-19-33(41)30-15-5-3-6-16-30)42-26-14-23-38-37-22-13-21-34(43(37)47-44(38)42)31-17-7-4-8-18-31/h3,5-6,9-16,19-29,31H,4,7-8,17-18H2,1-2H3
InChIKeyLAXBRKGQYVECQR-UHFFFAOYSA-N
MW609.81 g/mol
LogP13.08
Rot. Bonds5

About 6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine

6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine (PubChem CID 165082497) has the molecular formula C45H39NO and a molecular weight of 609.81 g/mol. Its IUPAC name is 6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound Name6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine
PubChem CID165082497
Molecular FormulaC45H39NO
Molecular Weight609.81 g/mol
Exact Mass609.30
IUPAC Name6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3oc3c(C5CCCCC5)cccc34)cc21
InChIInChI=1S/C45H39NO/c1-45(2)39-24-11-9-20-35(39)36-28-27-32(29-40(36)45)46(41-25-12-10-19-33(41)30-15-5-3-6-16-30)42-26-14-23-38-37-22-13-21-34(43(37)47-44(38)42)31-17-7-4-8-18-31/h3,5-6,9-16,19-29,31H,4,7-8,17-18H2,1-2H3
InChIKeyLAXBRKGQYVECQR-UHFFFAOYSA-N
XLogP13.08
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.81
LogP ≤ 513.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-cyclohexyl-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-phenyldibenzofuran-4-amine
CID 90139832
6-cyclohexyl-N,N-bis(9,9-dimethylfluoren-2-yl)-8-(2,4,6-trimethylphenyl)dibenzofuran-4-amine
CID 174314025
N-[2-(2-cyclohexylphenyl)phenyl]-N-[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168771699
N-[2-(3-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 174307439
7-cyclohexyl-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 164970193
7-cyclohexyl-N-(2-cyclohexylnaphthalen-1-yl)-N-[2-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;7-cyclohexyl-N-(2-cyclohexylnaphthalen-1-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(2-cyclohexylnaphthalen-1-yl)-N-[2-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;N-[2-(4-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 164978075
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 166028594
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)-18-phenyl-N-[2-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-8-amine
CID 171050332
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170303846
9,9-dimethyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 118245783
N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-[4-(4-cyclohexylphenyl)phenyl]dibenzofuran-4-amine
CID 165022366

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of 6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine (CID 165082497) is 6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for 6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for 6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3-c3ccccc3)c3cccc4c3oc3c(C5CCCCC5)cccc34)cc21.
What is the InChIKey of 6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is LAXBRKGQYVECQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H39NO/c1-45(2)39-24-11-9-20-35(39)36-28-27-32(29-40(36)45)46(41-25-12-10-19-33(41)30-15-5-3-6-16-30)42-26-14-23-38-37-22-13-21-34(43(37)47-44(38)42)31-17-7-4-8-18-31/h3,5-6,9-16,19-29,31H,4,7-8,17-18H2,1-2H3.
What are the key properties of 6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine?
6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 609.81 g/mol, XLogP of 13.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 165082497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).