5-[9,9-dimethyl-7-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)fluoren-3-yl]-1-N,3-N-diphenyl-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine

C81H57N3O — CID 162465047

IUPAC5-[9,9-dimethyl-7-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)fluoren-3-yl]-1-N,3-N-diphenyl-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
SMILESCC1(C)c2ccc(-c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)c3)cc2-c2ccc(-c3cc4c5ccccc5n(-c5ccccc5)c4c4c3oc3ccccc34)cc21
InChIInChI=1S/C81H57N3O/c1-81(2)74-46-42-58(50-72(74)68-45-41-59(51-75(68)81)71-53-73-69-35-18-20-37-76(69)84(63-32-16-7-17-33-63)79(73)78-70-36-19-21-38-77(70)85-80(71)78)60-48-66(82(61-28-12-5-13-29-61)64-43-39-56(40-44-64)54-23-8-3-9-24-54)52-67(49-60)83(62-30-14-6-15-31-62)65-34-22-27-57(47-65)55-25-10-4-11-26-55/h3-53H,1-2H3
InChIKeyFDDBQXUMPQAVBL-UHFFFAOYSA-N
MW1088.37 g/mol
LogP22.60
Rot. Bonds11

About 5-[9,9-dimethyl-7-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)fluoren-3-yl]-1-N,3-N-diphenyl-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine

5-[9,9-dimethyl-7-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)fluoren-3-yl]-1-N,3-N-diphenyl-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine (PubChem CID 162465047) has the molecular formula C81H57N3O and a molecular weight of 1088.37 g/mol. Its IUPAC name is 5-[9,9-dimethyl-7-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)fluoren-3-yl]-1-N,3-N-diphenyl-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-[9,9-dimethyl-7-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)fluoren-3-yl]-1-N,3-N-diphenyl-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
PubChem CID162465047
Molecular FormulaC81H57N3O
Molecular Weight1088.37 g/mol
Exact Mass1087.45
IUPAC Name5-[9,9-dimethyl-7-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)fluoren-3-yl]-1-N,3-N-diphenyl-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
SMILESCC1(C)c2ccc(-c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)c3)cc2-c2ccc(-c3cc4c5ccccc5n(-c5ccccc5)c4c4c3oc3ccccc34)cc21
InChIInChI=1S/C81H57N3O/c1-81(2)74-46-42-58(50-72(74)68-45-41-59(51-75(68)81)71-53-73-69-35-18-20-37-76(69)84(63-32-16-7-17-33-63)79(73)78-70-36-19-21-38-77(70)85-80(71)78)60-48-66(82(61-28-12-5-13-29-61)64-43-39-56(40-44-64)54-23-8-3-9-24-54)52-67(49-60)83(62-30-14-6-15-31-62)65-34-22-27-57(47-65)55-25-10-4-11-26-55/h3-53H,1-2H3
InChIKeyFDDBQXUMPQAVBL-UHFFFAOYSA-N
XLogP22.60
TPSA24.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001088.37
LogP ≤ 522.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[9,9-dimethyl-7-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)fluoren-3-yl]-1-N,3-N-diphenyl-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine with MolForge

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Related Compounds

3-N-(9,9-dimethylfluoren-4-yl)-1-N,1-N-diphenyl-5-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 134275240
N-[4-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118405433
3-dibenzofuran-4-yl-N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839393
N-(4-carbazol-9-ylphenyl)-3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)-N-(4-phenylphenyl)aniline;7,7-dimethyl-N,N-bis(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-4-amine;N-[3-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-4-amine
CID 159106146
30-[4-(4-carbazol-9-ylphenyl)phenyl]-10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaene;9,9-dimethyl-N-[4-[4-(10-oxa-30-azaoctacyclo[14.12.1.12,27.03,11.04,9.012,29.017,22.023,28]triaconta-1,3(11),4,6,8,12(29),13,15,17,19,21,23(28),24,26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
CID 162152453
N-(3-dibenzofuran-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline
CID 168839404
N-dibenzofuran-4-yl-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 58510703
N-(4-phenylphenyl)-N-[4-[12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazol-6-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 122578447
N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 140919383
N-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine;N-[4-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine;9,9-dimethyl-N,7-diphenyl-N-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]fluoren-2-amine
CID 158113731
N-(3-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839606
4-[5-(9,9-dimethylfluoren-2-yl)-[1]benzofuro[2,3-a]carbazol-12-yl]-N,N-diphenylaniline
CID 134252341

Frequently Asked Questions

What is the IUPAC name of 5-[9,9-dimethyl-7-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)fluoren-3-yl]-1-N,3-N-diphenyl-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine?
The IUPAC name of 5-[9,9-dimethyl-7-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)fluoren-3-yl]-1-N,3-N-diphenyl-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine (CID 162465047) is 5-[9,9-dimethyl-7-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)fluoren-3-yl]-1-N,3-N-diphenyl-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 5-[9,9-dimethyl-7-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)fluoren-3-yl]-1-N,3-N-diphenyl-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine?
The canonical SMILES for 5-[9,9-dimethyl-7-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)fluoren-3-yl]-1-N,3-N-diphenyl-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine is CC1(C)c2ccc(-c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)cc(N(c4ccccc4)c4cccc(-c5ccccc5)c4)c3)cc2-c2ccc(-c3cc4c5ccccc5n(-c5ccccc5)c4c4c3oc3ccccc34)cc21.
What is the InChIKey of 5-[9,9-dimethyl-7-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)fluoren-3-yl]-1-N,3-N-diphenyl-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine?
The InChIKey is FDDBQXUMPQAVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H57N3O/c1-81(2)74-46-42-58(50-72(74)68-45-41-59(51-75(68)81)71-53-73-69-35-18-20-37-76(69)84(63-32-16-7-17-33-63)79(73)78-70-36-19-21-38-77(70)85-80(71)78)60-48-66(82(61-28-12-5-13-29-61)64-43-39-56(40-44-64)54-23-8-3-9-24-54)52-67(49-60)83(62-30-14-6-15-31-62)65-34-22-27-57(47-65)55-25-10-4-11-26-55/h3-53H,1-2H3.
What are the key properties of 5-[9,9-dimethyl-7-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)fluoren-3-yl]-1-N,3-N-diphenyl-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine?
5-[9,9-dimethyl-7-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)fluoren-3-yl]-1-N,3-N-diphenyl-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine has a molecular weight of 1088.37 g/mol, XLogP of 22.60, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9,9-dimethyl-7-(12-phenyl-[1]benzofuro[3,2-a]carbazol-6-yl)fluoren-3-yl]-1-N,3-N-diphenyl-3-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 162465047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).