N-[4-[5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzofuran-2-amine

C55H39NO2 — CID 167143301

IUPACN-[4-[5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzofuran-2-amine
SMILESCC1(C)c2cc(-c3cc4c5cccc(-c6ccc(N(c7ccccc7)c7ccc8oc9ccccc9c8c7)cc6)c5oc4c4ccccc34)ccc2C2C=CC=CC21
InChIInChI=1S/C55H39NO2/c1-55(2)49-21-10-8-16-41(49)42-29-25-35(31-50(42)55)46-33-48-45-20-12-19-39(53(45)58-54(48)44-18-7-6-15-40(44)46)34-23-26-37(27-24-34)56(36-13-4-3-5-14-36)38-28-30-52-47(32-38)43-17-9-11-22-51(43)57-52/h3-33,41,49H,1-2H3
InChIKeyNLOVYXCODQJUFM-UHFFFAOYSA-N
MW745.92 g/mol
LogP15.56
Rot. Bonds5

About N-[4-[5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzofuran-2-amine

N-[4-[5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzofuran-2-amine (PubChem CID 167143301) has the molecular formula C55H39NO2 and a molecular weight of 745.92 g/mol. Its IUPAC name is N-[4-[5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzofuran-2-amine.

Molecular Properties

Compound NameN-[4-[5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzofuran-2-amine
PubChem CID167143301
Molecular FormulaC55H39NO2
Molecular Weight745.92 g/mol
Exact Mass745.30
IUPAC NameN-[4-[5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzofuran-2-amine
SMILESCC1(C)c2cc(-c3cc4c5cccc(-c6ccc(N(c7ccccc7)c7ccc8oc9ccccc9c8c7)cc6)c5oc4c4ccccc34)ccc2C2C=CC=CC21
InChIInChI=1S/C55H39NO2/c1-55(2)49-21-10-8-16-41(49)42-29-25-35(31-50(42)55)46-33-48-45-20-12-19-39(53(45)58-54(48)44-18-7-6-15-40(44)46)34-23-26-37(27-24-34)56(36-13-4-3-5-14-36)38-28-30-52-47(32-38)43-17-9-11-22-51(43)57-52/h3-33,41,49H,1-2H3
InChIKeyNLOVYXCODQJUFM-UHFFFAOYSA-N
XLogP15.56
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.92
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-[5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzofuran-2-amine with MolForge

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Related Compounds

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-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzofuran-3-amine
CID 167143711
4-dibenzofuran-4-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]aniline
CID 167143311
3-N-dibenzofuran-2-yl-1-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 118605105
N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 172502116
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[14-(4-methylphenyl)-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,9,11,15,17-octaenyl]phenyl]-4-phenylaniline
CID 146414892
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
3-N-[3-(N-dibenzofuran-2-yl-3-dibenzofuran-4-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 134198198
7-dibenzofuran-2-yl-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-2-amine;7-dibenzofuran-2-yl-N-(7-dibenzofuran-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;7-dibenzofuran-4-yl-N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 159734238
8-dibenzofuran-4-yl-6,6,12,12-tetramethyl-N,N-bis[4-(4-phenylphenyl)phenyl]-5a,10b-dihydroindeno[1,2-b]fluoren-2-amine
CID 122677109
9-(8-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-2-amine
CID 174244522

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzofuran-2-amine?
The IUPAC name of N-[4-[5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzofuran-2-amine (CID 167143301) is N-[4-[5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzofuran-2-amine.
What is the SMILES notation for N-[4-[5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzofuran-2-amine?
The canonical SMILES for N-[4-[5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzofuran-2-amine is CC1(C)c2cc(-c3cc4c5cccc(-c6ccc(N(c7ccccc7)c7ccc8oc9ccccc9c8c7)cc6)c5oc4c4ccccc34)ccc2C2C=CC=CC21.
What is the InChIKey of N-[4-[5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzofuran-2-amine?
The InChIKey is NLOVYXCODQJUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H39NO2/c1-55(2)49-21-10-8-16-41(49)42-29-25-35(31-50(42)55)46-33-48-45-20-12-19-39(53(45)58-54(48)44-18-7-6-15-40(44)46)34-23-26-37(27-24-34)56(36-13-4-3-5-14-36)38-28-30-52-47(32-38)43-17-9-11-22-51(43)57-52/h3-33,41,49H,1-2H3.
What are the key properties of N-[4-[5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzofuran-2-amine?
N-[4-[5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzofuran-2-amine has a molecular weight of 745.92 g/mol, XLogP of 15.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-N-phenyldibenzofuran-2-amine is sourced from PubChem (CID 167143301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).