7-methyl-1,7-diphenyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine

C80H56N2O — CID 146645660

IUPAC7-methyl-1,7-diphenyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
SMILESCC1(c2ccccc2)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2-c2c1cc(N(c1ccc(-c3ccccc3)cc1)c1ccc(-c3ccccc3)cc1)c1c2oc2c(-c3ccccc3)cccc21
InChIInChI=1S/C80H56N2O/c1-80(64-31-18-7-19-32-64)73-53-69(81(65-43-35-59(36-44-65)55-21-8-2-9-22-55)66-45-37-60(38-46-66)56-23-10-3-11-24-56)51-52-71(73)76-74(80)54-75(77-72-34-20-33-70(78(72)83-79(76)77)63-29-16-6-17-30-63)82(67-47-39-61(40-48-67)57-25-12-4-13-26-57)68-49-41-62(42-50-68)58-27-14-5-15-28-58/h2-54H,1H3
InChIKeyANTLDIRSFKSKEG-UHFFFAOYSA-N
MW1061.34 g/mol
LogP22.20
Rot. Bonds12

About 7-methyl-1,7-diphenyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine

7-methyl-1,7-diphenyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine (PubChem CID 146645660) has the molecular formula C80H56N2O and a molecular weight of 1061.34 g/mol. Its IUPAC name is 7-methyl-1,7-diphenyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine.

Molecular Properties

Compound Name7-methyl-1,7-diphenyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
PubChem CID146645660
Molecular FormulaC80H56N2O
Molecular Weight1061.34 g/mol
Exact Mass1060.44
IUPAC Name7-methyl-1,7-diphenyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
SMILESCC1(c2ccccc2)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2-c2c1cc(N(c1ccc(-c3ccccc3)cc1)c1ccc(-c3ccccc3)cc1)c1c2oc2c(-c3ccccc3)cccc21
InChIInChI=1S/C80H56N2O/c1-80(64-31-18-7-19-32-64)73-53-69(81(65-43-35-59(36-44-65)55-21-8-2-9-22-55)66-45-37-60(38-46-66)56-23-10-3-11-24-56)51-52-71(73)76-74(80)54-75(77-72-34-20-33-70(78(72)83-79(76)77)63-29-16-6-17-30-63)82(67-47-39-61(40-48-67)57-25-12-4-13-26-57)68-49-41-62(42-50-68)58-27-14-5-15-28-58/h2-54H,1H3
InChIKeyANTLDIRSFKSKEG-UHFFFAOYSA-N
XLogP22.20
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001061.34
LogP ≤ 522.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9,9-dimethyl-N-[4-[6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 164724626
9-methyl-N-(9-methyl-9-phenylfluoren-2-yl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 171453321
9,9-dimethyl-N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 130466784
9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 171453043
N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;N-[4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161043494
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1'-ylphenyl)fluoren-2-amine;methane;molecular hydrogen
CID 158018181
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167144181
N,N-bis(4-tert-butylphenyl)-4-(7,7-dimethyl-5-phenylfluoreno[4,3-b][1]benzofuran-1-yl)aniline
CID 156556107
N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 137467192
N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167177069
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
5,7-dimethyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-7-phenyl-N-(4-phenylphenyl)benzo[g]fluoren-9-amine
CID 144612826

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,7-diphenyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine?
The IUPAC name of 7-methyl-1,7-diphenyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine (CID 146645660) is 7-methyl-1,7-diphenyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine.
What is the SMILES notation for 7-methyl-1,7-diphenyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine?
The canonical SMILES for 7-methyl-1,7-diphenyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine is CC1(c2ccccc2)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)ccc2-c2c1cc(N(c1ccc(-c3ccccc3)cc1)c1ccc(-c3ccccc3)cc1)c1c2oc2c(-c3ccccc3)cccc21.
What is the InChIKey of 7-methyl-1,7-diphenyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine?
The InChIKey is ANTLDIRSFKSKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H56N2O/c1-80(64-31-18-7-19-32-64)73-53-69(81(65-43-35-59(36-44-65)55-21-8-2-9-22-55)66-45-37-60(38-46-66)56-23-10-3-11-24-56)51-52-71(73)76-74(80)54-75(77-72-34-20-33-70(78(72)83-79(76)77)63-29-16-6-17-30-63)82(67-47-39-61(40-48-67)57-25-12-4-13-26-57)68-49-41-62(42-50-68)58-27-14-5-15-28-58/h2-54H,1H3.
What are the key properties of 7-methyl-1,7-diphenyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine?
7-methyl-1,7-diphenyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine has a molecular weight of 1061.34 g/mol, XLogP of 22.20, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,7-diphenyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine is sourced from PubChem (CID 146645660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).