[4-[3-(9-fluoranthen-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-methylsilane;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(4-hexylphenyl)carbazole

C105H76N4Si — CID 162077341

IUPAC[4-[3-(9-fluoranthen-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-methylsilane;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(4-hexylphenyl)carbazole
SMILESCCCCCCc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)ccc32)cc1.C[SiH2]c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6c(cccc46)-c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C58H44N2.C47H32N2Si/c1-2-3-4-5-14-38-25-29-42(30-26-38)59-54-23-10-8-19-47(54)52-36-39(27-33-56(52)59)40-28-34-57-53(37-40)48-20-9-11-24-55(48)60(57)43-16-12-15-41(35-43)44-31-32-51-46-18-7-6-17-45(46)50-22-13-21-49(44)58(50)51;1-50-32-21-19-31(20-22-32)48-42-15-6-4-11-35(42)40-27-29(17-24-45(40)48)30-18-25-46-41(28-30)36-12-5-7-16-43(36)49(46)44-26-23-38-34-10-3-2-9-33(34)37-13-8-14-39(44)47(37)38/h6-13,15-37H,2-5,14H2,1H3;2-28H,50H2,1H3
InChIKeyZBWMKXSHKDZIJB-UHFFFAOYSA-N
MW1421.88 g/mol
LogP27.33
Rot. Bonds13

About [4-[3-(9-fluoranthen-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-methylsilane;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(4-hexylphenyl)carbazole

[4-[3-(9-fluoranthen-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-methylsilane;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(4-hexylphenyl)carbazole (PubChem CID 162077341) has the molecular formula C105H76N4Si and a molecular weight of 1421.88 g/mol. Its IUPAC name is [4-[3-(9-fluoranthen-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-methylsilane;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(4-hexylphenyl)carbazole.

Molecular Properties

Compound Name[4-[3-(9-fluoranthen-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-methylsilane;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(4-hexylphenyl)carbazole
PubChem CID162077341
Molecular FormulaC105H76N4Si
Molecular Weight1421.88 g/mol
Exact Mass1420.58
IUPAC Name[4-[3-(9-fluoranthen-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-methylsilane;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(4-hexylphenyl)carbazole
SMILESCCCCCCc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)ccc32)cc1.C[SiH2]c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6c(cccc46)-c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C58H44N2.C47H32N2Si/c1-2-3-4-5-14-38-25-29-42(30-26-38)59-54-23-10-8-19-47(54)52-36-39(27-33-56(52)59)40-28-34-57-53(37-40)48-20-9-11-24-55(48)60(57)43-16-12-15-41(35-43)44-31-32-51-46-18-7-6-17-45(46)50-22-13-21-49(44)58(50)51;1-50-32-21-19-31(20-22-32)48-42-15-6-4-11-35(42)40-27-29(17-24-45(40)48)30-18-25-46-41(28-30)36-12-5-7-16-43(36)49(46)44-26-23-38-34-10-3-2-9-33(34)37-13-8-14-39(44)47(37)38/h6-13,15-37H,2-5,14H2,1H3;2-28H,50H2,1H3
InChIKeyZBWMKXSHKDZIJB-UHFFFAOYSA-N
XLogP27.33
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001421.88
LogP ≤ 527.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 71291323
2-(7-fluoranthen-3-ylbenzo[c]carbazol-10-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole;5-fluoranthen-3-yl-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole;5-(3-fluoranthen-3-ylphenyl)-2-(9-phenylcarbazol-3-yl)benzo[b]carbazole;7-(3-fluoranthen-3-ylphenyl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 161437853
3-[9-[3-(1-benzothiophen-3-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-butan-2-ylphenyl)carbazol-3-yl]-9-fluoranthen-3-ylcarbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-fluorophenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-(4-hexylphenyl)carbazole;3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-[4-(trifluoromethyl)phenyl]carbazole
CID 161359881
6-[9-(4-fluoranthen-3-ylphenyl)carbazol-3-yl]-2-[9-(3-fluoranthen-3-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole
CID 137420632
3-[9-[4-(3-fluoranthen-3-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71291349
3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 71291329
3-carbazol-9-yl-9-(3-fluoranthen-3-ylphenyl)carbazole
CID 71291318
9-(4-butylphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 163903365
2-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-5-phenylbenzo[b]carbazole;10-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-7-phenylbenzo[c]carbazole;9-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159571919
3-[9-(4-fluoranthen-3-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaen-18-ylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159993956
N-[4-(9,9-didodecyl-7-methylfluoren-2-yl)phenyl]-N-[4-[9-[3-[4-(4-hexylphenyl)phenyl]phenyl]carbazol-3-yl]phenyl]-4-methylaniline
CID 170261213
3-[9-(7-fluoranthen-3-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(7-fluoranthen-3-ylphenanthren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-triphenylen-2-ylnaphthalen-1-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(6-triphenylen-2-ylnaphthalen-2-yl)carbazole
CID 158215347

Frequently Asked Questions

What is the IUPAC name of [4-[3-(9-fluoranthen-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-methylsilane;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(4-hexylphenyl)carbazole?
The IUPAC name of [4-[3-(9-fluoranthen-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-methylsilane;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(4-hexylphenyl)carbazole (CID 162077341) is [4-[3-(9-fluoranthen-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-methylsilane;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(4-hexylphenyl)carbazole.
What is the SMILES notation for [4-[3-(9-fluoranthen-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-methylsilane;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(4-hexylphenyl)carbazole?
The canonical SMILES for [4-[3-(9-fluoranthen-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-methylsilane;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(4-hexylphenyl)carbazole is CCCCCCc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)ccc32)cc1.C[SiH2]c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6c(cccc46)-c4ccccc4-5)ccc32)cc1.
What is the InChIKey of [4-[3-(9-fluoranthen-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-methylsilane;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(4-hexylphenyl)carbazole?
The InChIKey is ZBWMKXSHKDZIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2.C47H32N2Si/c1-2-3-4-5-14-38-25-29-42(30-26-38)59-54-23-10-8-19-47(54)52-36-39(27-33-56(52)59)40-28-34-57-53(37-40)48-20-9-11-24-55(48)60(57)43-16-12-15-41(35-43)44-31-32-51-46-18-7-6-17-45(46)50-22-13-21-49(44)58(50)51;1-50-32-21-19-31(20-22-32)48-42-15-6-4-11-35(42)40-27-29(17-24-45(40)48)30-18-25-46-41(28-30)36-12-5-7-16-43(36)49(46)44-26-23-38-34-10-3-2-9-33(34)37-13-8-14-39(44)47(37)38/h6-13,15-37H,2-5,14H2,1H3;2-28H,50H2,1H3.
What are the key properties of [4-[3-(9-fluoranthen-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-methylsilane;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(4-hexylphenyl)carbazole?
[4-[3-(9-fluoranthen-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-methylsilane;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(4-hexylphenyl)carbazole has a molecular weight of 1421.88 g/mol, XLogP of 27.33, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(9-fluoranthen-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-methylsilane;3-[9-(3-fluoranthen-3-ylphenyl)carbazol-3-yl]-9-(4-hexylphenyl)carbazole is sourced from PubChem (CID 162077341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).