N-[7,7-dimethyl-5-[4-(9-methylcarbazol-1-yl)-3-(9-methylcarbazol-3-yl)butyl]benzo[g]fluoren-9-yl]-N-phenyldibenzofuran-2-amine

C67H53N3O — CID 163737068

IUPACN-[7,7-dimethyl-5-[4-(9-methylcarbazol-1-yl)-3-(9-methylcarbazol-3-yl)butyl]benzo[g]fluoren-9-yl]-N-phenyldibenzofuran-2-amine
SMILESCn1c2ccccc2c2cc(C(CCc3cc4c(c5ccccc35)-c3ccc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cc3C4(C)C)Cc3cccc4c5ccccc5n(C)c34)ccc21
InChIInChI=1S/C67H53N3O/c1-67(2)58-41-48(70(46-18-6-5-7-19-46)47-33-36-64-57(40-47)52-23-12-15-28-63(52)71-64)32-34-55(58)65-53-24-9-8-20-49(53)44(39-59(65)67)30-29-42(43-31-35-62-56(38-43)51-22-11-13-26-60(51)68(62)3)37-45-17-16-25-54-50-21-10-14-27-61(50)69(4)66(45)54/h5-28,31-36,38-42H,29-30,37H2,1-4H3
InChIKeyLENYBKCCRLAUDR-UHFFFAOYSA-N
MW916.18 g/mol
LogP17.76
Rot. Bonds9

About N-[7,7-dimethyl-5-[4-(9-methylcarbazol-1-yl)-3-(9-methylcarbazol-3-yl)butyl]benzo[g]fluoren-9-yl]-N-phenyldibenzofuran-2-amine

N-[7,7-dimethyl-5-[4-(9-methylcarbazol-1-yl)-3-(9-methylcarbazol-3-yl)butyl]benzo[g]fluoren-9-yl]-N-phenyldibenzofuran-2-amine (PubChem CID 163737068) has the molecular formula C67H53N3O and a molecular weight of 916.18 g/mol. Its IUPAC name is N-[7,7-dimethyl-5-[4-(9-methylcarbazol-1-yl)-3-(9-methylcarbazol-3-yl)butyl]benzo[g]fluoren-9-yl]-N-phenyldibenzofuran-2-amine.

Molecular Properties

Compound NameN-[7,7-dimethyl-5-[4-(9-methylcarbazol-1-yl)-3-(9-methylcarbazol-3-yl)butyl]benzo[g]fluoren-9-yl]-N-phenyldibenzofuran-2-amine
PubChem CID163737068
Molecular FormulaC67H53N3O
Molecular Weight916.18 g/mol
Exact Mass915.42
IUPAC NameN-[7,7-dimethyl-5-[4-(9-methylcarbazol-1-yl)-3-(9-methylcarbazol-3-yl)butyl]benzo[g]fluoren-9-yl]-N-phenyldibenzofuran-2-amine
SMILESCn1c2ccccc2c2cc(C(CCc3cc4c(c5ccccc35)-c3ccc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cc3C4(C)C)Cc3cccc4c5ccccc5n(C)c34)ccc21
InChIInChI=1S/C67H53N3O/c1-67(2)58-41-48(70(46-18-6-5-7-19-46)47-33-36-64-57(40-47)52-23-12-15-28-63(52)71-64)32-34-55(58)65-53-24-9-8-20-49(53)44(39-59(65)67)30-29-42(43-31-35-62-56(38-43)51-22-11-13-26-60(51)68(62)3)37-45-17-16-25-54-50-21-10-14-27-61(50)69(4)66(45)54/h5-28,31-36,38-42H,29-30,37H2,1-4H3
InChIKeyLENYBKCCRLAUDR-UHFFFAOYSA-N
XLogP17.76
TPSA26.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.18
LogP ≤ 517.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[7,7-dimethyl-9-(4-naphthalen-1-yl-3-phenylbutan-2-yl)benzo[c]fluoren-5-yl]-2-phenylbutyl]dibenzofuran
CID 144613856
N-[4-(5-dibenzofuran-2-yl-7,7-dimethylbenzo[g]fluoren-9-yl)phenyl]-N-phenyldibenzofuran-2-amine
CID 135299697
1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126705
5-N,16-N-di(dibenzofuran-2-yl)-8,8-dimethyl-5-N,16-N,20-triphenylpentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaene-5,16-diamine
CID 118633670
N-(9-benzyl-7,7-dimethylbenzo[c]fluoren-5-yl)-9-methyl-N-phenylcarbazol-3-amine
CID 90129003
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177095674
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 157179912
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-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine
CID 170280215
N-dibenzofuran-2-yl-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 134309200
2-N,6-N-di(dibenzofuran-3-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,6-N-diphenylanthracene-2,6-diamine
CID 89254555
N-[4-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 67964102

Frequently Asked Questions

What is the IUPAC name of N-[7,7-dimethyl-5-[4-(9-methylcarbazol-1-yl)-3-(9-methylcarbazol-3-yl)butyl]benzo[g]fluoren-9-yl]-N-phenyldibenzofuran-2-amine?
The IUPAC name of N-[7,7-dimethyl-5-[4-(9-methylcarbazol-1-yl)-3-(9-methylcarbazol-3-yl)butyl]benzo[g]fluoren-9-yl]-N-phenyldibenzofuran-2-amine (CID 163737068) is N-[7,7-dimethyl-5-[4-(9-methylcarbazol-1-yl)-3-(9-methylcarbazol-3-yl)butyl]benzo[g]fluoren-9-yl]-N-phenyldibenzofuran-2-amine.
What is the SMILES notation for N-[7,7-dimethyl-5-[4-(9-methylcarbazol-1-yl)-3-(9-methylcarbazol-3-yl)butyl]benzo[g]fluoren-9-yl]-N-phenyldibenzofuran-2-amine?
The canonical SMILES for N-[7,7-dimethyl-5-[4-(9-methylcarbazol-1-yl)-3-(9-methylcarbazol-3-yl)butyl]benzo[g]fluoren-9-yl]-N-phenyldibenzofuran-2-amine is Cn1c2ccccc2c2cc(C(CCc3cc4c(c5ccccc35)-c3ccc(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cc3C4(C)C)Cc3cccc4c5ccccc5n(C)c34)ccc21.
What is the InChIKey of N-[7,7-dimethyl-5-[4-(9-methylcarbazol-1-yl)-3-(9-methylcarbazol-3-yl)butyl]benzo[g]fluoren-9-yl]-N-phenyldibenzofuran-2-amine?
The InChIKey is LENYBKCCRLAUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H53N3O/c1-67(2)58-41-48(70(46-18-6-5-7-19-46)47-33-36-64-57(40-47)52-23-12-15-28-63(52)71-64)32-34-55(58)65-53-24-9-8-20-49(53)44(39-59(65)67)30-29-42(43-31-35-62-56(38-43)51-22-11-13-26-60(51)68(62)3)37-45-17-16-25-54-50-21-10-14-27-61(50)69(4)66(45)54/h5-28,31-36,38-42H,29-30,37H2,1-4H3.
What are the key properties of N-[7,7-dimethyl-5-[4-(9-methylcarbazol-1-yl)-3-(9-methylcarbazol-3-yl)butyl]benzo[g]fluoren-9-yl]-N-phenyldibenzofuran-2-amine?
N-[7,7-dimethyl-5-[4-(9-methylcarbazol-1-yl)-3-(9-methylcarbazol-3-yl)butyl]benzo[g]fluoren-9-yl]-N-phenyldibenzofuran-2-amine has a molecular weight of 916.18 g/mol, XLogP of 17.76, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7,7-dimethyl-5-[4-(9-methylcarbazol-1-yl)-3-(9-methylcarbazol-3-yl)butyl]benzo[g]fluoren-9-yl]-N-phenyldibenzofuran-2-amine is sourced from PubChem (CID 163737068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).