N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(2',7'-dimethylspiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-4-yl)-5a,9a-dihydrodibenzofuran-3-amine

C54H47NO — CID 167222948

IUPACN-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(2',7'-dimethylspiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-4-yl)-5a,9a-dihydrodibenzofuran-3-amine
SMILESCc1ccc2c(c1)C1(c3cc(C)ccc3-2)C2C=CC=CC2C2C(N(c3ccc4c(c3)OC3C=CC=CC43)c3ccc4c(c3)C(C)(C)C3C=CC=CC43)=CC=CC21
InChIInChI=1S/C54H47NO/c1-32-20-24-38-39-25-21-33(2)29-48(39)54(47(38)28-32)44-16-9-6-14-42(44)52-45(54)17-11-18-49(52)55(35-23-27-41-40-13-7-10-19-50(40)56-51(41)31-35)34-22-26-37-36-12-5-8-15-43(36)53(3,4)46(37)30-34/h5-31,36,40,42-45,50,52H,1-4H3
InChIKeyHJALVVLKMQQWBQ-UHFFFAOYSA-N
MW725.98 g/mol
LogP12.55
Rot. Bonds3

About N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(2',7'-dimethylspiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-4-yl)-5a,9a-dihydrodibenzofuran-3-amine

N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(2',7'-dimethylspiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-4-yl)-5a,9a-dihydrodibenzofuran-3-amine (PubChem CID 167222948) has the molecular formula C54H47NO and a molecular weight of 725.98 g/mol. Its IUPAC name is N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(2',7'-dimethylspiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-4-yl)-5a,9a-dihydrodibenzofuran-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(2',7'-dimethylspiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-4-yl)-5a,9a-dihydrodibenzofuran-3-amine
PubChem CID167222948
Molecular FormulaC54H47NO
Molecular Weight725.98 g/mol
Exact Mass725.37
IUPAC NameN-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(2',7'-dimethylspiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-4-yl)-5a,9a-dihydrodibenzofuran-3-amine
SMILESCc1ccc2c(c1)C1(c3cc(C)ccc3-2)C2C=CC=CC2C2C(N(c3ccc4c(c3)OC3C=CC=CC43)c3ccc4c(c3)C(C)(C)C3C=CC=CC43)=CC=CC21
InChIInChI=1S/C54H47NO/c1-32-20-24-38-39-25-21-33(2)29-48(39)54(47(38)28-32)44-16-9-6-14-42(44)52-45(54)17-11-18-49(52)55(35-23-27-41-40-13-7-10-19-50(40)56-51(41)31-35)34-22-26-37-36-12-5-8-15-43(36)53(3,4)46(37)30-34/h5-31,36,40,42-45,50,52H,1-4H3
InChIKeyHJALVVLKMQQWBQ-UHFFFAOYSA-N
XLogP12.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.98
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(2',7'-dimethylspiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-4-yl)-5a,9a-dihydrodibenzofuran-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,9,9-trimethyl-4a,9a-dihydrofluorene
CID 142301822
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine
CID 145141242
(4aR,9bR)-8-methyl-4a,9b-dihydrodibenzofuran
CID 146532547
N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 166820061
N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]dibenzofuran-2-amine
CID 142481358
N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)fluoren-2-amine
CID 153201298
N-(9,9-dimethylfluoren-2-yl)-N,5-diphenyl-7a,11a-dihydronaphtho[2,1-b][1]benzofuran-11-amine
CID 170301533
N-[2-[6-(3,5-ditert-butylphenyl)dibenzofuran-4-yl]-5-phenylphenyl]-9,9-dimethyl-N-(4-phenylphenyl)-4b,8a-dihydrofluoren-2-amine
CID 176987223
5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-16-(9,9-dimethylfluoren-2-yl)-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
CID 70923500
5-[2,4-dimethyl-5-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-2,4-dimethylphenol;7-methyl-9,9-diphenyl-4a,9a-dihydrofluorene
CID 143802774
5-N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-18-N-(9,9-dimethylfluoren-2-yl)-5-N,18-N-dinaphthalen-2-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
CID 122674931
(9aS)-7-[2-[(1Z)-buta-1,3-dienyl]-4-iodo-3-methylphenyl]-9,9-dimethyl-4a,9a-dihydrofluorene
CID 89176835

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(2',7'-dimethylspiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-4-yl)-5a,9a-dihydrodibenzofuran-3-amine?
The IUPAC name of N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(2',7'-dimethylspiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-4-yl)-5a,9a-dihydrodibenzofuran-3-amine (CID 167222948) is N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(2',7'-dimethylspiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-4-yl)-5a,9a-dihydrodibenzofuran-3-amine.
What is the SMILES notation for N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(2',7'-dimethylspiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-4-yl)-5a,9a-dihydrodibenzofuran-3-amine?
The canonical SMILES for N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(2',7'-dimethylspiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-4-yl)-5a,9a-dihydrodibenzofuran-3-amine is Cc1ccc2c(c1)C1(c3cc(C)ccc3-2)C2C=CC=CC2C2C(N(c3ccc4c(c3)OC3C=CC=CC43)c3ccc4c(c3)C(C)(C)C3C=CC=CC43)=CC=CC21.
What is the InChIKey of N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(2',7'-dimethylspiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-4-yl)-5a,9a-dihydrodibenzofuran-3-amine?
The InChIKey is HJALVVLKMQQWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H47NO/c1-32-20-24-38-39-25-21-33(2)29-48(39)54(47(38)28-32)44-16-9-6-14-42(44)52-45(54)17-11-18-49(52)55(35-23-27-41-40-13-7-10-19-50(40)56-51(41)31-35)34-22-26-37-36-12-5-8-15-43(36)53(3,4)46(37)30-34/h5-31,36,40,42-45,50,52H,1-4H3.
What are the key properties of N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(2',7'-dimethylspiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-4-yl)-5a,9a-dihydrodibenzofuran-3-amine?
N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(2',7'-dimethylspiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-4-yl)-5a,9a-dihydrodibenzofuran-3-amine has a molecular weight of 725.98 g/mol, XLogP of 12.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-N-(2',7'-dimethylspiro[4a,4b,8a,9a-tetrahydrofluorene-9,9'-fluorene]-4-yl)-5a,9a-dihydrodibenzofuran-3-amine is sourced from PubChem (CID 167222948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).