7-fluoranthen-2-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole;10-(9-phenylcarbazol-3-yl)-7H-benzo[c]carbazole

C84H52N4 — CID 162231540

IUPAC7-fluoranthen-2-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole;10-(9-phenylcarbazol-3-yl)-7H-benzo[c]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccc7ccccc7c6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4cc5c6c(cccc6c4)-c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C50H30N2.C34H22N2/c1-2-13-35(14-3-1)51-45-20-9-8-18-40(45)42-28-32(22-24-46(42)51)33-23-25-47-44(29-33)50-37-15-5-4-11-31(37)21-26-48(50)52(47)36-27-34-12-10-19-41-38-16-6-7-17-39(38)43(30-36)49(34)41;1-2-9-25(10-3-1)36-32-13-7-6-12-27(32)28-20-24(16-19-33(28)36)23-15-17-30-29(21-23)34-26-11-5-4-8-22(26)14-18-31(34)35-30/h1-30H;1-21,35H
InChIKeyZVMOLXCVLUNPCK-UHFFFAOYSA-N
MW1117.37 g/mol
LogP22.74
Rot. Bonds5

About 7-fluoranthen-2-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole;10-(9-phenylcarbazol-3-yl)-7H-benzo[c]carbazole

7-fluoranthen-2-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole;10-(9-phenylcarbazol-3-yl)-7H-benzo[c]carbazole (PubChem CID 162231540) has the molecular formula C84H52N4 and a molecular weight of 1117.37 g/mol. Its IUPAC name is 7-fluoranthen-2-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole;10-(9-phenylcarbazol-3-yl)-7H-benzo[c]carbazole.

Molecular Properties

Compound Name7-fluoranthen-2-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole;10-(9-phenylcarbazol-3-yl)-7H-benzo[c]carbazole
PubChem CID162231540
Molecular FormulaC84H52N4
Molecular Weight1117.37 g/mol
Exact Mass1116.42
IUPAC Name7-fluoranthen-2-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole;10-(9-phenylcarbazol-3-yl)-7H-benzo[c]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccc7ccccc7c6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4cc5c6c(cccc6c4)-c4ccccc4-5)ccc32)cc1
InChIInChI=1S/C50H30N2.C34H22N2/c1-2-13-35(14-3-1)51-45-20-9-8-18-40(45)42-28-32(22-24-46(42)51)33-23-25-47-44(29-33)50-37-15-5-4-11-31(37)21-26-48(50)52(47)36-27-34-12-10-19-41-38-16-6-7-17-39(38)43(30-36)49(34)41;1-2-9-25(10-3-1)36-32-13-7-6-12-27(32)28-20-24(16-19-33(28)36)23-15-17-30-29(21-23)34-26-11-5-4-8-22(26)14-18-31(34)35-30/h1-30H;1-21,35H
InChIKeyZVMOLXCVLUNPCK-UHFFFAOYSA-N
XLogP22.74
TPSA30.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001117.37
LogP ≤ 522.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

10-(9-fluoranthen-2-ylcarbazol-3-yl)-7-phenylbenzo[c]carbazole
CID 130294957
5-(7H-benzo[c]carbazol-10-yl)-9-phenyl-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
CID 134301025
10-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-7H-benzo[c]carbazole
CID 150701377
2-[7-(4-fluoranthen-2-ylphenyl)benzo[c]carbazol-10-yl]-5-phenylbenzo[b]carbazole
CID 130295051
5-(4-fluoranthen-2-ylphenyl)-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[b]carbazole
CID 130295046
3-[9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;10-[9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole;3-[9-(6-fluoranthen-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;7-(6-fluoranthen-2-ylnaphthalen-2-yl)-10-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 158425767
5-(3-fluoranthen-2-ylphenyl)-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[b]carbazole
CID 130294965
3-(9-fluoranthen-2-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 130295225
2-(5-fluoranthen-2-ylbenzo[b]carbazol-2-yl)-5-phenylbenzo[b]carbazole
CID 130295208
2-(9-fluoranthen-3-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole;7-fluoranthen-3-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 159351866
7-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-7-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 130326269
7-(9-fluoranthen-2-ylcarbazol-3-yl)benzo[c]carbazole
CID 130295338

Frequently Asked Questions

What is the IUPAC name of 7-fluoranthen-2-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole;10-(9-phenylcarbazol-3-yl)-7H-benzo[c]carbazole?
The IUPAC name of 7-fluoranthen-2-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole;10-(9-phenylcarbazol-3-yl)-7H-benzo[c]carbazole (CID 162231540) is 7-fluoranthen-2-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole;10-(9-phenylcarbazol-3-yl)-7H-benzo[c]carbazole.
What is the SMILES notation for 7-fluoranthen-2-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole;10-(9-phenylcarbazol-3-yl)-7H-benzo[c]carbazole?
The canonical SMILES for 7-fluoranthen-2-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole;10-(9-phenylcarbazol-3-yl)-7H-benzo[c]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccc7ccccc7c6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4cc5c6c(cccc6c4)-c4ccccc4-5)ccc32)cc1.
What is the InChIKey of 7-fluoranthen-2-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole;10-(9-phenylcarbazol-3-yl)-7H-benzo[c]carbazole?
The InChIKey is ZVMOLXCVLUNPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2.C34H22N2/c1-2-13-35(14-3-1)51-45-20-9-8-18-40(45)42-28-32(22-24-46(42)51)33-23-25-47-44(29-33)50-37-15-5-4-11-31(37)21-26-48(50)52(47)36-27-34-12-10-19-41-38-16-6-7-17-39(38)43(30-36)49(34)41;1-2-9-25(10-3-1)36-32-13-7-6-12-27(32)28-20-24(16-19-33(28)36)23-15-17-30-29(21-23)34-26-11-5-4-8-22(26)14-18-31(34)35-30/h1-30H;1-21,35H.
What are the key properties of 7-fluoranthen-2-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole;10-(9-phenylcarbazol-3-yl)-7H-benzo[c]carbazole?
7-fluoranthen-2-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole;10-(9-phenylcarbazol-3-yl)-7H-benzo[c]carbazole has a molecular weight of 1117.37 g/mol, XLogP of 22.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoranthen-2-yl-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole;10-(9-phenylcarbazol-3-yl)-7H-benzo[c]carbazole is sourced from PubChem (CID 162231540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).