5-N-dibenzofuran-4-yl-7,7-diethyl-9-N,9-N-bis(3-methylphenyl)-5-N-(9-propylcarbazol-1-yl)benzo[c]fluorene-5,9-diamine

C62H53N3O — CID 144614699

IUPAC5-N-dibenzofuran-4-yl-7,7-diethyl-9-N,9-N-bis(3-methylphenyl)-5-N-(9-propylcarbazol-1-yl)benzo[c]fluorene-5,9-diamine
SMILESCCCn1c2ccccc2c2cccc(N(c3cc4c(c5ccccc35)-c3ccc(N(c5cccc(C)c5)c5cccc(C)c5)cc3C4(CC)CC)c3cccc4c3oc3ccccc34)c21
InChIInChI=1S/C62H53N3O/c1-6-35-63-54-29-13-11-24-46(54)49-27-17-30-55(60(49)63)65(56-31-18-28-50-47-25-12-14-32-58(47)66-61(50)56)57-39-53-59(48-26-10-9-23-45(48)57)51-34-33-44(38-52(51)62(53,7-2)8-3)64(42-21-15-19-40(4)36-42)43-22-16-20-41(5)37-43/h9-34,36-39H,6-8,35H2,1-5H3
InChIKeyUQHQKHQSRCODGD-UHFFFAOYSA-N
MW856.13 g/mol
LogP17.90
Rot. Bonds10

About 5-N-dibenzofuran-4-yl-7,7-diethyl-9-N,9-N-bis(3-methylphenyl)-5-N-(9-propylcarbazol-1-yl)benzo[c]fluorene-5,9-diamine

5-N-dibenzofuran-4-yl-7,7-diethyl-9-N,9-N-bis(3-methylphenyl)-5-N-(9-propylcarbazol-1-yl)benzo[c]fluorene-5,9-diamine (PubChem CID 144614699) has the molecular formula C62H53N3O and a molecular weight of 856.13 g/mol. Its IUPAC name is 5-N-dibenzofuran-4-yl-7,7-diethyl-9-N,9-N-bis(3-methylphenyl)-5-N-(9-propylcarbazol-1-yl)benzo[c]fluorene-5,9-diamine.

Molecular Properties

Compound Name5-N-dibenzofuran-4-yl-7,7-diethyl-9-N,9-N-bis(3-methylphenyl)-5-N-(9-propylcarbazol-1-yl)benzo[c]fluorene-5,9-diamine
PubChem CID144614699
Molecular FormulaC62H53N3O
Molecular Weight856.13 g/mol
Exact Mass855.42
IUPAC Name5-N-dibenzofuran-4-yl-7,7-diethyl-9-N,9-N-bis(3-methylphenyl)-5-N-(9-propylcarbazol-1-yl)benzo[c]fluorene-5,9-diamine
SMILESCCCn1c2ccccc2c2cccc(N(c3cc4c(c5ccccc35)-c3ccc(N(c5cccc(C)c5)c5cccc(C)c5)cc3C4(CC)CC)c3cccc4c3oc3ccccc34)c21
InChIInChI=1S/C62H53N3O/c1-6-35-63-54-29-13-11-24-46(54)49-27-17-30-55(60(49)63)65(56-31-18-28-50-47-25-12-14-32-58(47)66-61(50)56)57-39-53-59(48-26-10-9-23-45(48)57)51-34-33-44(38-52(51)62(53,7-2)8-3)64(42-21-15-19-40(4)36-42)43-22-16-20-41(5)37-43/h9-34,36-39H,6-8,35H2,1-5H3
InChIKeyUQHQKHQSRCODGD-UHFFFAOYSA-N
XLogP17.90
TPSA24.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.13
LogP ≤ 517.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-N-dibenzofuran-4-yl-7,7-diethyl-9-N,9-N-bis(3-methylphenyl)-5-N-(9-propylcarbazol-1-yl)benzo[c]fluorene-5,9-diamine with MolForge

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Related Compounds

N-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-N-(3-methylphenyl)dibenzofuran-4-amine
CID 90140402
9-N',15-N'-di(dibenzofuran-4-yl)-9-N',15-N'-bis(3-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine
CID 137493854
5-N-dibenzofuran-1-yl-7,7-dimethyl-9-N-(3-methylphenyl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
CID 90128722
5-N,9-N-bis(3-methylphenyl)-5-N,9-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine
CID 126550480
9-N',17-N'-di(dibenzofuran-4-yl)-9-N',17-N'-bis(2-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine;9-N',17-N'-di(dibenzofuran-4-yl)-9-N',17-N'-bis(3-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine;9-N',17-N'-di(dibenzofuran-4-yl)-9-N',17-N'-bis(4-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine
CID 159414247
N-(3,4-dimethylphenyl)-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)dibenzofuran-4-amine
CID 144614268
N-(9,9-diethylfluoren-2-yl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 177080188
5-N,9-N-bis(3-methylphenyl)-5-N,9-N-diphenyl-7,7-bis(trimethylsilyl)benzo[c]fluorene-5,9-diamine
CID 140738274
5-N-dibenzofuran-4-yl-8,8,20-trimethyl-5-N,16-N,16-N-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 118633640
18-N-dibenzofuran-4-yl-6-N-[18-(N-dibenzofuran-4-yl-3-methylanilino)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaen-6-yl]-6-N,18-N-bis(3-methylphenyl)-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 163659368
9-N',15-N'-di(dibenzofuran-4-yl)-9-N',15-N'-bis(2,4-dimethylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',15'-diamine
CID 138651824
N,N-bis[7,7-dimethyl-5-(2-methylphenyl)benzo[g]fluoren-9-yl]dibenzofuran-4-amine
CID 90277902

Frequently Asked Questions

What is the IUPAC name of 5-N-dibenzofuran-4-yl-7,7-diethyl-9-N,9-N-bis(3-methylphenyl)-5-N-(9-propylcarbazol-1-yl)benzo[c]fluorene-5,9-diamine?
The IUPAC name of 5-N-dibenzofuran-4-yl-7,7-diethyl-9-N,9-N-bis(3-methylphenyl)-5-N-(9-propylcarbazol-1-yl)benzo[c]fluorene-5,9-diamine (CID 144614699) is 5-N-dibenzofuran-4-yl-7,7-diethyl-9-N,9-N-bis(3-methylphenyl)-5-N-(9-propylcarbazol-1-yl)benzo[c]fluorene-5,9-diamine.
What is the SMILES notation for 5-N-dibenzofuran-4-yl-7,7-diethyl-9-N,9-N-bis(3-methylphenyl)-5-N-(9-propylcarbazol-1-yl)benzo[c]fluorene-5,9-diamine?
The canonical SMILES for 5-N-dibenzofuran-4-yl-7,7-diethyl-9-N,9-N-bis(3-methylphenyl)-5-N-(9-propylcarbazol-1-yl)benzo[c]fluorene-5,9-diamine is CCCn1c2ccccc2c2cccc(N(c3cc4c(c5ccccc35)-c3ccc(N(c5cccc(C)c5)c5cccc(C)c5)cc3C4(CC)CC)c3cccc4c3oc3ccccc34)c21.
What is the InChIKey of 5-N-dibenzofuran-4-yl-7,7-diethyl-9-N,9-N-bis(3-methylphenyl)-5-N-(9-propylcarbazol-1-yl)benzo[c]fluorene-5,9-diamine?
The InChIKey is UQHQKHQSRCODGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H53N3O/c1-6-35-63-54-29-13-11-24-46(54)49-27-17-30-55(60(49)63)65(56-31-18-28-50-47-25-12-14-32-58(47)66-61(50)56)57-39-53-59(48-26-10-9-23-45(48)57)51-34-33-44(38-52(51)62(53,7-2)8-3)64(42-21-15-19-40(4)36-42)43-22-16-20-41(5)37-43/h9-34,36-39H,6-8,35H2,1-5H3.
What are the key properties of 5-N-dibenzofuran-4-yl-7,7-diethyl-9-N,9-N-bis(3-methylphenyl)-5-N-(9-propylcarbazol-1-yl)benzo[c]fluorene-5,9-diamine?
5-N-dibenzofuran-4-yl-7,7-diethyl-9-N,9-N-bis(3-methylphenyl)-5-N-(9-propylcarbazol-1-yl)benzo[c]fluorene-5,9-diamine has a molecular weight of 856.13 g/mol, XLogP of 17.90, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-dibenzofuran-4-yl-7,7-diethyl-9-N,9-N-bis(3-methylphenyl)-5-N-(9-propylcarbazol-1-yl)benzo[c]fluorene-5,9-diamine is sourced from PubChem (CID 144614699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).