N-[4-[7-(7,8-dihydrodibenzofuran-4-yl)-9,9-dimethyl-1,2-dihydrofluoren-3-yl]phenyl]-9,9-dimethyl-N-[2-(10-methyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaenyl)phenyl]fluoren-4-amine

C70H57NO — CID 156827191

IUPACN-[4-[7-(7,8-dihydrodibenzofuran-4-yl)-9,9-dimethyl-1,2-dihydrofluoren-3-yl]phenyl]-9,9-dimethyl-N-[2-(10-methyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaenyl)phenyl]fluoren-4-amine
SMILESCC1=CCc2ccc(-c3ccccc3N(c3ccc(C4=CC5=C(CC4)C(C)(C)c4cc(-c6cccc7c8c(oc67)=CCCC=8)ccc45)cc3)c3cccc4c3-c3ccccc3C4(C)C)cc2-c2ccccc21
InChIInChI=1S/C70H57NO/c1-43-28-29-45-30-31-47(41-58(45)53-18-7-6-16-50(43)53)51-17-9-12-25-64(51)71(65-26-15-24-62-67(65)57-20-8-11-23-60(57)69(62,2)3)49-36-32-44(33-37-49)46-35-39-61-59(40-46)54-38-34-48(42-63(54)70(61,4)5)52-21-14-22-56-55-19-10-13-27-66(55)72-68(52)56/h6-9,11-12,14-28,30-34,36-38,40-42H,10,13,29,35,39H2,1-5H3
InChIKeyCGMAFTITFLDPKV-UHFFFAOYSA-N
MW928.23 g/mol
LogP17.45
Rot. Bonds6

About N-[4-[7-(7,8-dihydrodibenzofuran-4-yl)-9,9-dimethyl-1,2-dihydrofluoren-3-yl]phenyl]-9,9-dimethyl-N-[2-(10-methyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaenyl)phenyl]fluoren-4-amine

N-[4-[7-(7,8-dihydrodibenzofuran-4-yl)-9,9-dimethyl-1,2-dihydrofluoren-3-yl]phenyl]-9,9-dimethyl-N-[2-(10-methyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaenyl)phenyl]fluoren-4-amine (PubChem CID 156827191) has the molecular formula C70H57NO and a molecular weight of 928.23 g/mol. Its IUPAC name is N-[4-[7-(7,8-dihydrodibenzofuran-4-yl)-9,9-dimethyl-1,2-dihydrofluoren-3-yl]phenyl]-9,9-dimethyl-N-[2-(10-methyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaenyl)phenyl]fluoren-4-amine.

Molecular Properties

Compound NameN-[4-[7-(7,8-dihydrodibenzofuran-4-yl)-9,9-dimethyl-1,2-dihydrofluoren-3-yl]phenyl]-9,9-dimethyl-N-[2-(10-methyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaenyl)phenyl]fluoren-4-amine
PubChem CID156827191
Molecular FormulaC70H57NO
Molecular Weight928.23 g/mol
Exact Mass927.44
IUPAC NameN-[4-[7-(7,8-dihydrodibenzofuran-4-yl)-9,9-dimethyl-1,2-dihydrofluoren-3-yl]phenyl]-9,9-dimethyl-N-[2-(10-methyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaenyl)phenyl]fluoren-4-amine
SMILESCC1=CCc2ccc(-c3ccccc3N(c3ccc(C4=CC5=C(CC4)C(C)(C)c4cc(-c6cccc7c8c(oc67)=CCCC=8)ccc45)cc3)c3cccc4c3-c3ccccc3C4(C)C)cc2-c2ccccc21
InChIInChI=1S/C70H57NO/c1-43-28-29-45-30-31-47(41-58(45)53-18-7-6-16-50(43)53)51-17-9-12-25-64(51)71(65-26-15-24-62-67(65)57-20-8-11-23-60(57)69(62,2)3)49-36-32-44(33-37-49)46-35-39-61-59(40-46)54-38-34-48(42-63(54)70(61,4)5)52-21-14-22-56-55-19-10-13-27-66(55)72-68(52)56/h6-9,11-12,14-28,30-34,36-38,40-42H,10,13,29,35,39H2,1-5H3
InChIKeyCGMAFTITFLDPKV-UHFFFAOYSA-N
XLogP17.45
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500928.23
LogP ≤ 517.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-[7-(7,8-dihydrodibenzofuran-4-yl)-9,9-dimethyl-1,2-dihydrofluoren-3-yl]phenyl]-9,9-dimethyl-N-[2-(10-methyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaenyl)phenyl]fluoren-4-amine with MolForge

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Related Compounds

6-[9,9-dimethyl-6-(4-methylphenyl)fluoren-2-yl]-2,3-dihydrodibenzofuran
CID 156827136
3-(7,8-dihydrodibenzofuran-4-yl)-5-(9,9-dimethylfluoren-2-yl)aniline
CID 142380719
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139567960
N-[2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-4-amine
CID 167177633
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 170217548
9,9-dimethyl-N-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)fluoren-4-amine
CID 177122090
6-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 169296176
N-(2-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 139568036
N-(4-dibenzofuran-2-ylphenyl)-N-[2-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-4-amine
CID 168839779
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)fluoren-4-amine
CID 170036685
N-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene]-6'-yl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170690345
N-(2-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 135129602

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-(7,8-dihydrodibenzofuran-4-yl)-9,9-dimethyl-1,2-dihydrofluoren-3-yl]phenyl]-9,9-dimethyl-N-[2-(10-methyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaenyl)phenyl]fluoren-4-amine?
The IUPAC name of N-[4-[7-(7,8-dihydrodibenzofuran-4-yl)-9,9-dimethyl-1,2-dihydrofluoren-3-yl]phenyl]-9,9-dimethyl-N-[2-(10-methyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaenyl)phenyl]fluoren-4-amine (CID 156827191) is N-[4-[7-(7,8-dihydrodibenzofuran-4-yl)-9,9-dimethyl-1,2-dihydrofluoren-3-yl]phenyl]-9,9-dimethyl-N-[2-(10-methyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaenyl)phenyl]fluoren-4-amine.
What is the SMILES notation for N-[4-[7-(7,8-dihydrodibenzofuran-4-yl)-9,9-dimethyl-1,2-dihydrofluoren-3-yl]phenyl]-9,9-dimethyl-N-[2-(10-methyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaenyl)phenyl]fluoren-4-amine?
The canonical SMILES for N-[4-[7-(7,8-dihydrodibenzofuran-4-yl)-9,9-dimethyl-1,2-dihydrofluoren-3-yl]phenyl]-9,9-dimethyl-N-[2-(10-methyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaenyl)phenyl]fluoren-4-amine is CC1=CCc2ccc(-c3ccccc3N(c3ccc(C4=CC5=C(CC4)C(C)(C)c4cc(-c6cccc7c8c(oc67)=CCCC=8)ccc45)cc3)c3cccc4c3-c3ccccc3C4(C)C)cc2-c2ccccc21.
What is the InChIKey of N-[4-[7-(7,8-dihydrodibenzofuran-4-yl)-9,9-dimethyl-1,2-dihydrofluoren-3-yl]phenyl]-9,9-dimethyl-N-[2-(10-methyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaenyl)phenyl]fluoren-4-amine?
The InChIKey is CGMAFTITFLDPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H57NO/c1-43-28-29-45-30-31-47(41-58(45)53-18-7-6-16-50(43)53)51-17-9-12-25-64(51)71(65-26-15-24-62-67(65)57-20-8-11-23-60(57)69(62,2)3)49-36-32-44(33-37-49)46-35-39-61-59(40-46)54-38-34-48(42-63(54)70(61,4)5)52-21-14-22-56-55-19-10-13-27-66(55)72-68(52)56/h6-9,11-12,14-28,30-34,36-38,40-42H,10,13,29,35,39H2,1-5H3.
What are the key properties of N-[4-[7-(7,8-dihydrodibenzofuran-4-yl)-9,9-dimethyl-1,2-dihydrofluoren-3-yl]phenyl]-9,9-dimethyl-N-[2-(10-methyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaenyl)phenyl]fluoren-4-amine?
N-[4-[7-(7,8-dihydrodibenzofuran-4-yl)-9,9-dimethyl-1,2-dihydrofluoren-3-yl]phenyl]-9,9-dimethyl-N-[2-(10-methyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaenyl)phenyl]fluoren-4-amine has a molecular weight of 928.23 g/mol, XLogP of 17.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-(7,8-dihydrodibenzofuran-4-yl)-9,9-dimethyl-1,2-dihydrofluoren-3-yl]phenyl]-9,9-dimethyl-N-[2-(10-methyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,9,11,13-heptaenyl)phenyl]fluoren-4-amine is sourced from PubChem (CID 156827191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).