11-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N-diphenyl-[1]benzofuro[3,2-b]carbazol-8-amine

C57H41N3O — CID 90050694

IUPAC11-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N-diphenyl-[1]benzofuro[3,2-b]carbazol-8-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-n4c5ccc(N(c6ccccc6)c6ccccc6)cc5c5cc6oc7ccccc7c6cc54)c3)cc21
InChIInChI=1S/C57H41N3O/c1-57(2)51-27-14-12-25-45(51)46-31-29-44(35-52(46)57)59(40-21-10-5-11-22-40)41-23-16-24-42(33-41)60-53-32-30-43(58(38-17-6-3-7-18-38)39-19-8-4-9-20-39)34-48(53)49-37-56-50(36-54(49)60)47-26-13-15-28-55(47)61-56/h3-37H,1-2H3
InChIKeyDVZYHPGOOGYKPP-UHFFFAOYSA-N
MW783.98 g/mol
LogP15.93
Rot. Bonds7

About 11-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N-diphenyl-[1]benzofuro[3,2-b]carbazol-8-amine

11-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N-diphenyl-[1]benzofuro[3,2-b]carbazol-8-amine (PubChem CID 90050694) has the molecular formula C57H41N3O and a molecular weight of 783.98 g/mol. Its IUPAC name is 11-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N-diphenyl-[1]benzofuro[3,2-b]carbazol-8-amine.

Molecular Properties

Compound Name11-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N-diphenyl-[1]benzofuro[3,2-b]carbazol-8-amine
PubChem CID90050694
Molecular FormulaC57H41N3O
Molecular Weight783.98 g/mol
Exact Mass783.32
IUPAC Name11-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N-diphenyl-[1]benzofuro[3,2-b]carbazol-8-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-n4c5ccc(N(c6ccccc6)c6ccccc6)cc5c5cc6oc7ccccc7c6cc54)c3)cc21
InChIInChI=1S/C57H41N3O/c1-57(2)51-27-14-12-25-45(51)46-31-29-44(35-52(46)57)59(40-21-10-5-11-22-40)41-23-16-24-42(33-41)60-53-32-30-43(58(38-17-6-3-7-18-38)39-19-8-4-9-20-39)34-48(53)49-37-56-50(36-54(49)60)47-26-13-15-28-55(47)61-56/h3-37H,1-2H3
InChIKeyDVZYHPGOOGYKPP-UHFFFAOYSA-N
XLogP15.93
TPSA24.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.98
LogP ≤ 515.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine;N-(3-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-16-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-amine
CID 159900212
1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126705
7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 159213224
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine
CID 90050684
N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-b]carbazol-8-amine
CID 90050696
N-[4-[7-[7-[4-[4-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]anilino]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 139504991
3-[6-[bis(9,9-dimethylfluoren-2-yl)amino]-9-phenylcarbazol-3-yl]xanthen-9-one
CID 142288867
7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 89213172
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-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159673731
N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 118405626
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline;4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine;2-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-N,7-N-diphenyl-2-N-[4-(N-phenylanilino)phenyl]fluorene-2,7-diamine
CID 158626381

Frequently Asked Questions

What is the IUPAC name of 11-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N-diphenyl-[1]benzofuro[3,2-b]carbazol-8-amine?
The IUPAC name of 11-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N-diphenyl-[1]benzofuro[3,2-b]carbazol-8-amine (CID 90050694) is 11-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N-diphenyl-[1]benzofuro[3,2-b]carbazol-8-amine.
What is the SMILES notation for 11-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N-diphenyl-[1]benzofuro[3,2-b]carbazol-8-amine?
The canonical SMILES for 11-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N-diphenyl-[1]benzofuro[3,2-b]carbazol-8-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-n4c5ccc(N(c6ccccc6)c6ccccc6)cc5c5cc6oc7ccccc7c6cc54)c3)cc21.
What is the InChIKey of 11-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N-diphenyl-[1]benzofuro[3,2-b]carbazol-8-amine?
The InChIKey is DVZYHPGOOGYKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41N3O/c1-57(2)51-27-14-12-25-45(51)46-31-29-44(35-52(46)57)59(40-21-10-5-11-22-40)41-23-16-24-42(33-41)60-53-32-30-43(58(38-17-6-3-7-18-38)39-19-8-4-9-20-39)34-48(53)49-37-56-50(36-54(49)60)47-26-13-15-28-55(47)61-56/h3-37H,1-2H3.
What are the key properties of 11-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N-diphenyl-[1]benzofuro[3,2-b]carbazol-8-amine?
11-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N-diphenyl-[1]benzofuro[3,2-b]carbazol-8-amine has a molecular weight of 783.98 g/mol, XLogP of 15.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N-diphenyl-[1]benzofuro[3,2-b]carbazol-8-amine is sourced from PubChem (CID 90050694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).