N-(7,7-dimethyl-9,10-dihydrofluoreno[5,6-b][1]benzofuran-9-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine

C54H41NO2 — CID 167112713

IUPACN-(7,7-dimethyl-9,10-dihydrofluoreno[5,6-b][1]benzofuran-9-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
SMILESCC1(C)C2=CC(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccc5c(oc6ccccc65)c3-4)CC=C2c2c1ccc1c2oc2ccccc21
InChIInChI=1S/C54H41NO2/c1-53(2)43-28-26-39-37-14-8-10-16-47(37)56-51(39)49(43)41-24-22-35(30-45(41)53)55(34-20-18-33(19-21-34)32-12-6-5-7-13-32)36-23-25-42-46(31-36)54(3,4)44-29-27-40-38-15-9-11-17-48(38)57-52(40)50(42)44/h5-22,24-31,36H,23H2,1-4H3
InChIKeyPAFSVRLJMKDQMK-UHFFFAOYSA-N
MW735.93 g/mol
LogP14.67
Rot. Bonds4

About N-(7,7-dimethyl-9,10-dihydrofluoreno[5,6-b][1]benzofuran-9-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine

N-(7,7-dimethyl-9,10-dihydrofluoreno[5,6-b][1]benzofuran-9-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine (PubChem CID 167112713) has the molecular formula C54H41NO2 and a molecular weight of 735.93 g/mol. Its IUPAC name is N-(7,7-dimethyl-9,10-dihydrofluoreno[5,6-b][1]benzofuran-9-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-(7,7-dimethyl-9,10-dihydrofluoreno[5,6-b][1]benzofuran-9-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
PubChem CID167112713
Molecular FormulaC54H41NO2
Molecular Weight735.93 g/mol
Exact Mass735.31
IUPAC NameN-(7,7-dimethyl-9,10-dihydrofluoreno[5,6-b][1]benzofuran-9-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
SMILESCC1(C)C2=CC(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccc5c(oc6ccccc65)c3-4)CC=C2c2c1ccc1c2oc2ccccc21
InChIInChI=1S/C54H41NO2/c1-53(2)43-28-26-39-37-14-8-10-16-47(37)56-51(39)49(43)41-24-22-35(30-45(41)53)55(34-20-18-33(19-21-34)32-12-6-5-7-13-32)36-23-25-42-46(31-36)54(3,4)44-29-27-40-38-15-9-11-17-48(38)57-52(40)50(42)44/h5-22,24-31,36H,23H2,1-4H3
InChIKeyPAFSVRLJMKDQMK-UHFFFAOYSA-N
XLogP14.67
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.93
LogP ≤ 514.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(7,7-dimethyl-9,10-dihydrofluoreno[5,6-b][1]benzofuran-9-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine with MolForge

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Related Compounds

7,7-dimethyl-N-naphthalen-2-yl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
CID 118405244
7,7-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran
CID 122415883
N-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-10-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-10-amine
CID 118405235
7,7-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
CID 161155666
N-(2,6-dimethylphenyl)-N-[14,14-dimethyl-11-(9-phenylphenanthren-3-yl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,19-octaen-17-yl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-amine
CID 146432308
15,15,25,25-tetramethyl-N-(2-phenylphenyl)-N-(15,15,25,25-tetramethyl-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-yl)-4-oxaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(24),20,22,26-dodecaen-22-amine
CID 155088668
N-(9,9-dimethylfluoren-4-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-10-amine
CID 142515805
17,17,34,34-tetramethyl-6,23-dioxanonacyclo[18.14.0.03,18.04,16.05,13.07,12.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),7,9,11,14,18,21(33),22(30),24,26,28,31-pentadecaene
CID 58261464
N-(7,7-dimethyl-1,2-dihydrobenzo[c]fluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170093583
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 160595414
N-(7,7-dimethyl-5-phenylfluoreno[5,6-b][1]benzofuran-9-yl)-7,7-dimethyl-5-phenyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
CID 155088779
N-[3-ethenyl-2-[(Z)-prop-1-enyl]phenyl]-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
CID 144907086

Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-9,10-dihydrofluoreno[5,6-b][1]benzofuran-9-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine?
The IUPAC name of N-(7,7-dimethyl-9,10-dihydrofluoreno[5,6-b][1]benzofuran-9-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine (CID 167112713) is N-(7,7-dimethyl-9,10-dihydrofluoreno[5,6-b][1]benzofuran-9-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine.
What is the SMILES notation for N-(7,7-dimethyl-9,10-dihydrofluoreno[5,6-b][1]benzofuran-9-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine?
The canonical SMILES for N-(7,7-dimethyl-9,10-dihydrofluoreno[5,6-b][1]benzofuran-9-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine is CC1(C)C2=CC(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccc5c(oc6ccccc65)c3-4)CC=C2c2c1ccc1c2oc2ccccc21.
What is the InChIKey of N-(7,7-dimethyl-9,10-dihydrofluoreno[5,6-b][1]benzofuran-9-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine?
The InChIKey is PAFSVRLJMKDQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41NO2/c1-53(2)43-28-26-39-37-14-8-10-16-47(37)56-51(39)49(43)41-24-22-35(30-45(41)53)55(34-20-18-33(19-21-34)32-12-6-5-7-13-32)36-23-25-42-46(31-36)54(3,4)44-29-27-40-38-15-9-11-17-48(38)57-52(40)50(42)44/h5-22,24-31,36H,23H2,1-4H3.
What are the key properties of N-(7,7-dimethyl-9,10-dihydrofluoreno[5,6-b][1]benzofuran-9-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine?
N-(7,7-dimethyl-9,10-dihydrofluoreno[5,6-b][1]benzofuran-9-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine has a molecular weight of 735.93 g/mol, XLogP of 14.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-9,10-dihydrofluoreno[5,6-b][1]benzofuran-9-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine is sourced from PubChem (CID 167112713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).