N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine

C57H41N3O — CID 90050684

IUPACN-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3c5oc6ccccc6c5ccc3n4-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21
InChIInChI=1S/C57H41N3O/c1-57(2)50-24-14-12-22-45(50)46-32-30-44(37-51(46)57)59(40-20-10-5-11-21-40)43-31-34-52-49(36-43)55-53(35-33-48-47-23-13-15-25-54(47)61-56(48)55)60(52)42-28-26-41(27-29-42)58(38-16-6-3-7-17-38)39-18-8-4-9-19-39/h3-37H,1-2H3
InChIKeyWRHYBJXQWIDQHP-UHFFFAOYSA-N
MW783.98 g/mol
LogP15.93
Rot. Bonds7

About N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine

N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine (PubChem CID 90050684) has the molecular formula C57H41N3O and a molecular weight of 783.98 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine
PubChem CID90050684
Molecular FormulaC57H41N3O
Molecular Weight783.98 g/mol
Exact Mass783.32
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3c5oc6ccccc6c5ccc3n4-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21
InChIInChI=1S/C57H41N3O/c1-57(2)50-24-14-12-22-45(50)46-32-30-44(37-51(46)57)59(40-20-10-5-11-21-40)43-31-34-52-49(36-43)55-53(35-33-48-47-23-13-15-25-54(47)61-56(48)55)60(52)42-28-26-41(27-29-42)58(38-16-6-3-7-17-38)39-18-8-4-9-19-39/h3-37H,1-2H3
InChIKeyWRHYBJXQWIDQHP-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-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 118405677
N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118405432
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
15-(9,9-dimethylfluoren-2-yl)-19-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 118545892
11,11-dimethyl-N,N-diphenyl-5-[4-(N-phenylanilino)phenyl]indeno[1,2-b]carbazol-2-amine;2-N,2-N,9-N,9-N,12-pentakis-phenyl-5-[4-(N-phenylanilino)phenyl]indolo[3,2-c]carbazole-2,9-diamine;3-N,3-N,10-N,10-N-tetraphenyl-5-[3-(N-phenylanilino)phenyl]-[1]benzofuro[2,3-g]carbazole-3,10-diamine
CID 160603765
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]fluoren-2-amine
CID 118282673
11-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N-diphenyl-[1]benzofuro[3,2-b]carbazol-8-amine
CID 90050694
5-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 90057439
9,9-dimethyl-N-[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118405419
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-methylphenyl)-7-(9-phenylcarbazol-3-yl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-phenyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 158985541
N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine;ethane
CID 157195267
9,9-dimethyl-N-[4-(25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaen-26-yl)phenyl]-N-phenylfluoren-2-amine
CID 163811679

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine (CID 90050684) is N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)c3c5oc6ccccc6c5ccc3n4-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine?
The InChIKey is WRHYBJXQWIDQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41N3O/c1-57(2)50-24-14-12-22-45(50)46-32-30-44(37-51(46)57)59(40-20-10-5-11-21-40)43-31-34-52-49(36-43)55-53(35-33-48-47-23-13-15-25-54(47)61-56(48)55)60(52)42-28-26-41(27-29-42)58(38-16-6-3-7-17-38)39-18-8-4-9-19-39/h3-37H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine?
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-c]carbazol-2-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 N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine is sourced from PubChem (CID 90050684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).