N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine

C45H39NO — CID 149287713

IUPACN,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine
SMILESCC(C)c1cccc2c1oc1c(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cccc12
InChIInChI=1S/C45H39NO/c1-27(2)30-15-11-16-35-36-17-12-20-41(43(36)47-42(30)35)46(28-21-23-33-31-13-7-9-18-37(31)44(3,4)39(33)25-28)29-22-24-34-32-14-8-10-19-38(32)45(5,6)40(34)26-29/h7-27H,1-6H3
InChIKeyXUFPKZVBDRSLNL-UHFFFAOYSA-N
MW609.81 g/mol
LogP12.79
Rot. Bonds4

About N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine

N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine (PubChem CID 149287713) has the molecular formula C45H39NO and a molecular weight of 609.81 g/mol. Its IUPAC name is N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine.

Molecular Properties

Compound NameN,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine
PubChem CID149287713
Molecular FormulaC45H39NO
Molecular Weight609.81 g/mol
Exact Mass609.30
IUPAC NameN,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine
SMILESCC(C)c1cccc2c1oc1c(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cccc12
InChIInChI=1S/C45H39NO/c1-27(2)30-15-11-16-35-36-17-12-20-41(43(36)47-42(30)35)46(28-21-23-33-31-13-7-9-18-37(31)44(3,4)39(33)25-28)29-22-24-34-32-14-8-10-19-38(32)45(5,6)40(34)26-29/h7-27H,1-6H3
InChIKeyXUFPKZVBDRSLNL-UHFFFAOYSA-N
XLogP12.79
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.81
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-tert-butyl-N-[5-tert-butyl-2-(6-propan-2-yldibenzofuran-4-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 174315841
8-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine
CID 174314035
N,N-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine
CID 169022061
N-(7-tert-butyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-2-amine
CID 174312493
18,18,21,21-tetramethyl-15-N,24-N-diphenyl-15-N,24-N-bis(6-propan-2-yldibenzofuran-4-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene-15,24-diamine
CID 155761176
N-(9,9-dimethylfluoren-2-yl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139298060
N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169022015
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403199
2-N,7-N-di(dibenzofuran-4-yl)-2-N,7-N-bis(9,9-dimethylfluoren-2-yl)pyrene-2,7-diamine
CID 123226555
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 177122286
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 177122285
8-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-6-propan-2-yl-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzofuran-4-amine
CID 174313565

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine?
The IUPAC name of N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine (CID 149287713) is N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine.
What is the SMILES notation for N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine?
The canonical SMILES for N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine is CC(C)c1cccc2c1oc1c(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cccc12.
What is the InChIKey of N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine?
The InChIKey is XUFPKZVBDRSLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H39NO/c1-27(2)30-15-11-16-35-36-17-12-20-41(43(36)47-42(30)35)46(28-21-23-33-31-13-7-9-18-37(31)44(3,4)39(33)25-28)29-22-24-34-32-14-8-10-19-38(32)45(5,6)40(34)26-29/h7-27H,1-6H3.
What are the key properties of N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine?
N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine has a molecular weight of 609.81 g/mol, XLogP of 12.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(9,9-dimethylfluoren-2-yl)-6-propan-2-yldibenzofuran-4-amine is sourced from PubChem (CID 149287713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).