N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2,3-dihydrofluoren-2-amine

C33H27NO — CID 168731692

IUPACN-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2,3-dihydrofluoren-2-amine
SMILESCC1(C)C2=CC(Nc3ccc(-c4cccc5c4oc4ccccc45)cc3)CC=C2c2ccccc21
InChIInChI=1S/C33H27NO/c1-33(2)29-12-5-3-8-25(29)26-19-18-23(20-30(26)33)34-22-16-14-21(15-17-22)24-10-7-11-28-27-9-4-6-13-31(27)35-32(24)28/h3-17,19-20,23,34H,18H2,1-2H3
InChIKeyQGMYJQDIOINNSF-UHFFFAOYSA-N
MW453.59 g/mol
LogP8.74
Rot. Bonds3

About N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2,3-dihydrofluoren-2-amine

N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2,3-dihydrofluoren-2-amine (PubChem CID 168731692) has the molecular formula C33H27NO and a molecular weight of 453.59 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2,3-dihydrofluoren-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2,3-dihydrofluoren-2-amine
PubChem CID168731692
Molecular FormulaC33H27NO
Molecular Weight453.59 g/mol
Exact Mass453.21
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2,3-dihydrofluoren-2-amine
SMILESCC1(C)C2=CC(Nc3ccc(-c4cccc5c4oc4ccccc45)cc3)CC=C2c2ccccc21
InChIInChI=1S/C33H27NO/c1-33(2)29-12-5-3-8-25(29)26-19-18-23(20-30(26)33)34-22-16-14-21(15-17-22)24-10-7-11-28-27-9-4-6-13-31(27)35-32(24)28/h3-17,19-20,23,34H,18H2,1-2H3
InChIKeyQGMYJQDIOINNSF-UHFFFAOYSA-N
XLogP8.74
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.59
LogP ≤ 58.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethyl-2,3-dihydrofluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 142508992
4-(1-bromo-9,9-dimethylfluoren-3-yl)dibenzofuran
CID 135295825
4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)dibenzofuran
CID 118472826
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-[4-(9,9-dimethylfluoren-3-yl)phenyl]aniline
CID 168839960
7,7-dimethyl-6-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran
CID 122427509
4-(4-bromophenyl)dibenzofuran
CID 59022098
4-[4-[4-(4-propan-2-ylphenyl)phenyl]phenyl]dibenzofuran
CID 67963999
5-(4-dibenzofuran-4-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
CID 90191504
2-(4-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine
CID 118100072
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-ylaniline
CID 155374295
3,6-di(dibenzofuran-4-yl)-10,10-dimethylanthracen-9-one
CID 71260985
11-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 90225215

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2,3-dihydrofluoren-2-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2,3-dihydrofluoren-2-amine (CID 168731692) is N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2,3-dihydrofluoren-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2,3-dihydrofluoren-2-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2,3-dihydrofluoren-2-amine is CC1(C)C2=CC(Nc3ccc(-c4cccc5c4oc4ccccc45)cc3)CC=C2c2ccccc21.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2,3-dihydrofluoren-2-amine?
The InChIKey is QGMYJQDIOINNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27NO/c1-33(2)29-12-5-3-8-25(29)26-19-18-23(20-30(26)33)34-22-16-14-21(15-17-22)24-10-7-11-28-27-9-4-6-13-31(27)35-32(24)28/h3-17,19-20,23,34H,18H2,1-2H3.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2,3-dihydrofluoren-2-amine?
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2,3-dihydrofluoren-2-amine has a molecular weight of 453.59 g/mol, XLogP of 8.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-2,3-dihydrofluoren-2-amine is sourced from PubChem (CID 168731692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).