N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-phenyl-10,11-dihydrofluoreno[4,3-b][1]benzofuran-1-amine

C42H35NO — CID 138489071

IUPACN-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-phenyl-10,11-dihydrofluoreno[4,3-b][1]benzofuran-1-amine
SMILESCC1(C)C2=C(CCC=C2)c2c1ccc1c2oc2c(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cccc21
InChIInChI=1S/C42H35NO/c1-41(2)34-19-11-9-16-32(34)38-35(41)24-23-31-30-17-12-20-37(39(30)44-40(31)38)43(26-13-6-5-7-14-26)27-21-22-29-28-15-8-10-18-33(28)42(3,4)36(29)25-27/h5-8,10-15,17-25H,9,16H2,1-4H3
InChIKeyZSBIKPWMJFNDQO-UHFFFAOYSA-N
MW569.75 g/mol
LogP11.76
Rot. Bonds3

About N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-phenyl-10,11-dihydrofluoreno[4,3-b][1]benzofuran-1-amine

N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-phenyl-10,11-dihydrofluoreno[4,3-b][1]benzofuran-1-amine (PubChem CID 138489071) has the molecular formula C42H35NO and a molecular weight of 569.75 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-phenyl-10,11-dihydrofluoreno[4,3-b][1]benzofuran-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-phenyl-10,11-dihydrofluoreno[4,3-b][1]benzofuran-1-amine
PubChem CID138489071
Molecular FormulaC42H35NO
Molecular Weight569.75 g/mol
Exact Mass569.27
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-phenyl-10,11-dihydrofluoreno[4,3-b][1]benzofuran-1-amine
SMILESCC1(C)C2=C(CCC=C2)c2c1ccc1c2oc2c(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cccc21
InChIInChI=1S/C42H35NO/c1-41(2)34-19-11-9-16-32(34)38-35(41)24-23-31-30-17-12-20-37(39(30)44-40(31)38)43(26-13-6-5-7-14-26)27-21-22-29-28-15-8-10-18-33(28)42(3,4)36(29)25-27/h5-8,10-15,17-25H,9,16H2,1-4H3
InChIKeyZSBIKPWMJFNDQO-UHFFFAOYSA-N
XLogP11.76
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.75
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-[6-[2-(2-dibenzofuran-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]anilino)phenyl]-9,9-dimethylfluoren-3-yl]naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N-[2-(9,9-dimethyl-5,6-dihydrofluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170143287
N-(9,9-dimethyl-5,6-dihydrofluoren-4-yl)-N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 174290927
N,N-bis(9,9-dimethylfluoren-2-yl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 162362975
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
9-N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-9-N,10-N-bis(9,9-dimethylfluoren-2-yl)-10-N-(9,9-dimethylfluoren-3-yl)-2-phenylanthracene-9,10-diamine
CID 89187193
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
N-(9,9-dimethylfluoren-2-yl)-6-phenyl-N-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-amine
CID 169296235
N-(9,9-dimethylfluoren-2-yl)-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169022015
7,7-dimethyl-N-naphthalen-1-yl-N-phenylfluoreno[4,3-b][1]benzofuran-1-amine
CID 118405099
N,N-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine
CID 169022061

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-phenyl-10,11-dihydrofluoreno[4,3-b][1]benzofuran-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-phenyl-10,11-dihydrofluoreno[4,3-b][1]benzofuran-1-amine (CID 138489071) is N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-phenyl-10,11-dihydrofluoreno[4,3-b][1]benzofuran-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-phenyl-10,11-dihydrofluoreno[4,3-b][1]benzofuran-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-phenyl-10,11-dihydrofluoreno[4,3-b][1]benzofuran-1-amine is CC1(C)C2=C(CCC=C2)c2c1ccc1c2oc2c(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-phenyl-10,11-dihydrofluoreno[4,3-b][1]benzofuran-1-amine?
The InChIKey is ZSBIKPWMJFNDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H35NO/c1-41(2)34-19-11-9-16-32(34)38-35(41)24-23-31-30-17-12-20-37(39(30)44-40(31)38)43(26-13-6-5-7-14-26)27-21-22-29-28-15-8-10-18-33(28)42(3,4)36(29)25-27/h5-8,10-15,17-25H,9,16H2,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-phenyl-10,11-dihydrofluoreno[4,3-b][1]benzofuran-1-amine?
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-phenyl-10,11-dihydrofluoreno[4,3-b][1]benzofuran-1-amine has a molecular weight of 569.75 g/mol, XLogP of 11.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-phenyl-10,11-dihydrofluoreno[4,3-b][1]benzofuran-1-amine is sourced from PubChem (CID 138489071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).